<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2009-08-05 17:11:03 UTC</creation_date>
  <update_date>2026-04-05 21:34:37 UTC</update_date>
  <accession>T3D3562</accession>
  <common_name>Hydroxylammonium nitrate</common_name>
  <class>SmallMolecule</class>
  <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.</description>
  <categories>
    <category>Industrial/Workplace Toxin</category>
    <category>Synthetic Toxin</category>
  </categories>
  <types>
    <type>Inorganic Compound</type>
    <type>Non-Metal</type>
    <type>Nitrite</type>
    <type>Nitrate</type>
    <type>Industrial/Workplace Toxin</type>
    <type>Synthetic Compound</type>
  </types>
  <synonyms>
    <synonym>Hydroxylamine nitrate</synonym>
    <synonym>Hydroxylamine nitrate (1:1)</synonym>
    <synonym>Hydroxylamine nitrate (salt)</synonym>
    <synonym>Hydroxylamine, nitrate (1:1)</synonym>
    <synonym>Hydroxylammonium nitric acid</synonym>
  </synonyms>
  <chemical_formula>H4N2O4</chemical_formula>
  <average_molecular_weight>96.0428</average_molecular_weight>
  <monisotopic_moleculate_weight>96.017106626</monisotopic_moleculate_weight>
  <iupac_name>hydroxyazanium nitrate</iupac_name>
  <traditional_iupac>hydroxyazanium nitrate</traditional_iupac>
  <cas_registry_number>13465-08-2</cas_registry_number>
  <smiles>[NH3+]O.[O-][N+]([O-])=O</smiles>
  <inchi>InChI=1S/NO3.H4NO/c2-1(3)4;1-2/h;2H,1H3/q-1;+1</inchi>
  <inchikey>CRJZNQFRBUFHTE-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Non-metal oxoanionic compounds</class>
    <sub_class>Non-metal nitrates</sub_class>
    <direct_parent>Non-metal nitrates</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic salts</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Non-metal nitrate</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin>Exogenous</origin>
  <cellular_locations>
    <cellular_location>Cytoplasm</cellular_location>
    <cellular_location>Extracellular</cellular_location>
  </cellular_locations>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state>Solid</state>
  <appearance>White powder.</appearance>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.028</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-1.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-6.1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>hydroxyazanium nitrate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>96.0428</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>96.017106626</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[NH3+]O.[O-][N+]([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>H4N2O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/NO3.H4NO/c2-1(3)4;1-2/h;2H,1H3/q-1;+1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CRJZNQFRBUFHTE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>68.88</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>9.85</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>3.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure>Oral (L1137) ; inhalation (L1137)</route_of_exposure>
  <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. (A2450, L1613)</mechanism_of_toxicity>
  <metabolism>Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (L1137)</metabolism>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity>Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (L135)</carcinogenicity>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72264b5790&gt;</health_effects>
  <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. (L1137)</symptoms>
  <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. (L1613)</treatment>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>26045</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>24259</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id>Hydroxylammonium nitrate</stitch_id>
  <actor_id/>
  <pdb_id/>
  <wikipidia>http://en.wikipedia.org/wiki/Hydroxylammonium_nitrate</wikipidia>
  <general_references>
    <reference>
      <pubmed_id>18203719</pubmed_id>
    </reference>
    <reference>
      <reference_text>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.</reference_text>
    </reference>
    <reference>
      <reference_text>International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. : http://monographs.iarc.fr/index.php</reference_text>
    </reference>
    <reference>
      <reference_text>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</reference_text>
    </reference>
    <reference>
      <reference_text>Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. : http://en.wikipedia.org/wiki/Methemoglobinemia</reference_text>
    </reference>
    <reference>
      <reference_text>Wikipedia. Hydroxylammonium nitrate. Last Updated 7 February 2009.: http://en.wikipedia.org/wiki/Hydroxylammonium_nitrate</reference_text>
    </reference>
  </general_references>
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</compound>
