Hydroxylammonium nitrate (CED0015653)

Record Information

Version

1.0

Creation Date

2009-08-05 17:11:03 UTC

Update Date

2026-04-05 21:34:37 UTC

SynCED ID

CED0015653

Secondary Accession Numbers

CHEM002551
T3D3562

Identification

Common Name

Hydroxylammonium nitrate

Class

Small Molecule

Description

Hydroxylammonium nitrate is an exogenous inorganic compound with the formula H4N2O4 and an average molecular weight of 96.04 g/mol. At room temperature, this substance exists as a solid. Hydroxylammonium nitrate belongs to the non-metal nitrates, a subclass of non-metal oxoanionic compounds within the inorganic compounds. It is classified as a homogeneous non-metal compound. The compound is identified as being released from or found in two recorded sources: antennas and sparking plugs within electrical and electronic equipment. In industrial and technical applications, hydroxylammonium nitrate is used in nuclear reprocessing as a plutonium reductant and is being developed as a potential rocket propellant. The compound interacts with two recorded protein targets: hemoglobin subunit alpha (HBA1) and hemoglobin subunit beta (HBB). Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This process results in an elevation of methemoglobin levels, a condition known as methemoglobinemia. Methemoglobinemia is characterized by tissue hypoxia because methemoglobin cannot bind oxygen.

Contaminant Type

Industrial/Workplace Toxin
Inorganic Compound
Nitrate
Nitrite
Non-Metal
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Hydroxylammonium nitric acid	Generator

Chemical Formula

H₄N₂O₄

Average Molecular Mass

96.043 g/mol

Monoisotopic Mass

96.017 g/mol

CAS Registry Number

13465-08-2

IUPAC Name

hydroxyazanium nitrate

Traditional Name

hydroxyazanium nitrate

SMILES

[NH3+]O.[O-][N+]([O-])=O

InChI Identifier

InChI=1S/NO3.H4NO/c2-1(3)4;1-2/h;2H,1H3/q-1;+1

InChI Key

CRJZNQFRBUFHTE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as non-metal nitrates. These are inorganic non-metallic compounds containing a nitrate as its largest oxoanion.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal nitrates

Direct Parent

Non-metal nitrates

Alternative Parents

Substituents

Non-metal nitrate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	0.028	ChemAxon
pKa (Strongest Acidic)	-1.4	ChemAxon
pKa (Strongest Basic)	-6.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	68.88 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	9.85 m³·mol⁻¹	ChemAxon
Polarizability	3.24 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-3cdc8b7b8bbaaeae6a75	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-3cdc8b7b8bbaaeae6a75	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-3cdc8b7b8bbaaeae6a75	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-80cdb45982ae019b1f9c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-80cdb45982ae019b1f9c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-80cdb45982ae019b1f9c	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Nitrate's toxicity is a result of it's conversion to nitrite once in the body. Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (1, 4)

Carcinogenicity (IARC Classification)

Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (2)

Minimum Risk Level

Not Available

Symptoms

Nitrate and nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (3)

Treatment

Methemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state. (4)

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	Not Available
CEDs000533	Sparking Plugs?Spark plugs are critical components in internal combustion engines, facilitating the ignition of fuel-air mixtures by generating a spark.	Electrical & Electronic Equipment	Not Available
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	Not Available
CEDs000592	Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.	Marine, shipping & aquaculture	Not Available
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	Not Available
CEDs000665	Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.	Fire suppression systems & agents	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	Not Available
CEDs000692	Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000697	Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.	Marine, shipping & aquaculture	Not Available
CEDs000699	Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.	Mining & metal processing	Not Available
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	Not Available
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	Not Available
CEDs000736	Fuses?Fuses are safety devices designed to protect electrical circuits by breaking the circuit when excessive current flows through.	Electrical & Electronic Equipment	Not Available
CEDs000737	Chemical Igniters?Chemical igniters are substances or devices designed to initiate combustion in various applications, often found in products like lighters, candles, and certain household cleaning agents.	Household items	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.6894
Click to view 3D structure	Catechol O-methyltransferase	Q99028	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.207 Low confidence Statistical Significance 0.0018 Supporting Reference Compounds 2 E-value 14.2464
Click to view 3D structure	Catechol O-methyltransferase	P22734	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.231 Low confidence Statistical Significance 0.0211 Supporting Reference Compounds 15 E-value 163.95
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.214 Low confidence Statistical Significance 0.8257 Supporting Reference Compounds 472 E-value 6427.7
Click to view 3D structure	Putative nitroreductase	Q4A0P1	Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.176 Low confidence Statistical Significance 0.013 Supporting Reference Compounds 2 E-value 101.048
Click to view 3D structure	Modulator of drug activity A	Q8X6S1	Escherichia coli O157:H7	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.176 Low confidence Statistical Significance 0.0108 Supporting Reference Compounds 2 E-value 84.155
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.214 Low confidence Statistical Significance 0.8893 Supporting Reference Compounds 407 E-value 6923.29
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.182 Low confidence Statistical Significance 0.8533 Supporting Reference Compounds 205 E-value 6642.95
Click to view 3D structure	Cystathionine beta-lyase MetC	P06721	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.162 Low confidence Statistical Significance 0.0589 Supporting Reference Compounds 1 E-value 458.298
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.171 Low confidence Statistical Significance 0.9168 Supporting Reference Compounds 372 E-value 7136.98
Click to view 3D structure	Thioredoxin reductase	P61076	Plasmodium falciparum 3D7	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.156 Low confidence Statistical Significance 0.0107 Supporting Reference Compounds 1 E-value 83.3765
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.171 Low confidence Statistical Significance 0.9018 Supporting Reference Compounds 166 E-value 7020.29
Click to view 3D structure	Intestinal-type alkaline phosphatase	P24822	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.172 Low confidence Statistical Significance 0.5929 Supporting Reference Compounds 58 E-value 4615.52
Click to view 3D structure	Arylsulfatase	P51691	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.0354 Supporting Reference Compounds 1 E-value 275.431
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.171 Low confidence Statistical Significance 0.9457 Supporting Reference Compounds 332 E-value 7361.89
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.171 Low confidence Statistical Significance 0.9403 Supporting Reference Compounds 115 E-value 7320.24
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.194 Low confidence Statistical Significance 0.9883 Supporting Reference Compounds 1022 E-value 7693.84
Click to view 3D structure	Transthyretin	P02766	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.231 Low confidence Statistical Significance 0.6732 Supporting Reference Compounds 55 E-value 5241.12
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.158 Low confidence Statistical Significance 0.9821 Supporting Reference Compounds 425 E-value 7645.49
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.176 Low confidence Statistical Significance 0.9651 Supporting Reference Compounds 296 E-value 7513.54
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.182 Low confidence Statistical Significance 0.9663 Supporting Reference Compounds 201 E-value 7522.34
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.171 Low confidence Statistical Significance 0.8534 Supporting Reference Compounds 57 E-value 6643.5
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.171 Low confidence Statistical Significance 0.7632 Supporting Reference Compounds 40 E-value 5941.22
Click to view 3D structure	Nitric oxide synthase 3	P70313	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.1432 Supporting Reference Compounds 1 E-value 1115.19
Click to view 3D structure	Glutamate receptor-interacting protein 1	P97879	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0157 Supporting Reference Compounds 1 E-value 122.145
Click to view 3D structure	Hemoglobin subunit alpha	P69905	Humans	Known	Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (A2450, L1613)
Click to view 3D structure	Hemoglobin subunit beta	P68871	Humans	Known	Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (A2450, L1613)

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Hydroxylammonium nitrate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

26045

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Keszler A, Piknova B, Schechter AN, Hogg N: The reaction between nitrite and oxyhemoglobin: a mechanistic study. J Biol Chem. 2008 Apr 11;283(15):9615-22. doi: 10.1074/jbc.M705630200. Epub 2008 Jan 17. [PubMed: 18203719]
International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. - http://monographs.iarc.fr/index.php
ATSDR - Agency for Toxic Substances and Disease Registry (2007). Case Studies in Environmental Medicine. Nitrate/Nitrite Toxicity. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). - http://www.atsdr.cdc.gov/csem/nitrate/nitrate.html
Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. - http://en.wikipedia.org/wiki/Methemoglobinemia
Wikipedia. Hydroxylammonium nitrate. Last Updated 7 February 2009. - http://en.wikipedia.org/wiki/Hydroxylammonium_nitrate
American Conference of Governmental Industrial Hygienists, Inc. (1991). Documentation of the Threshold Limit Values and Biological Exposure Indices. 6th ed. Volumes I, II, III. Cincinnati, OH: American Conference of Governmental Industrial Hygienists.

Hydroxylammonium nitrate (CED0015653)

Structure for CHEM002551: Hydroxylammonium nitrate

No pathways found

Structure