Trimethyl(2-nitrooxyethyl)azanium (CED0309885)

Record Information

Version

1.0

Creation Date

2026-09-01 07:53:38 UTC

Update Date

2026-09-01 07:53:38 UTC

SynCED ID

CED0309885

Secondary Accession Numbers

CHEM355576

Identification

Common Name

Trimethyl(2-nitrooxyethyl)azanium

Class

Small Molecule

Description

Trimethyl(2-nitrooxyethyl)azanium is a chemical compound with the formula C5H13N2O3+ and an average molecular weight of 149.17 g/mol. It has been identified in or released from one recorded source, which consists of household cleaning and consumer products, specifically tobacco pipes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₁₃N₂O₃+

Average Molecular Mass

Not Available

Monoisotopic Mass

149.093 g/mol

CAS Registry Number

44929-09-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[N+](C)(C)CCO[N+](=O)[O-]

InChI Identifier

InChI=1S/C5H13N2O3/c1-7(2,3)4-5-10-6(8)9/h4-5H2,1-3H3/q+1

InChI Key

BZKRACMUAUSOKR-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

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

Not Available

Appearance

Not Available

Experimental Properties

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

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1561.0 Log mg/kg [880:2800]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
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	PubChem
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	PubChem
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	PubChem
CEDs000566	Tobacco Pipes?Tobacco pipes, often made from materials such as plastic, wood, or metal, can serve as sources of synthetic chemical contamination due to the residues left by tobacco products.	Household cleaning & consumer products	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
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	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.393 Statistical Significance 0.0334 Supporting Reference Compounds 385 E-value 260.016
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.393 Statistical Significance 0.024 Supporting Reference Compounds 310 E-value 186.994
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.393 Statistical Significance 0.0248 Supporting Reference Compounds 266 E-value 192.988
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.393 Statistical Significance 0.0561 Supporting Reference Compounds 297 E-value 436.501
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.393 Statistical Significance 0.0822 Supporting Reference Compounds 373 E-value 639.765
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.367 Statistical Significance 0.0529 Supporting Reference Compounds 58 E-value 411.589
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.379 Statistical Significance 0.1536 Supporting Reference Compounds 128 E-value 1195.69
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.367 Statistical Significance 0.2205 Supporting Reference Compounds 109 E-value 1716.58
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.367 Statistical Significance 0.1527 Supporting Reference Compounds 98 E-value 1188.91
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.367 Statistical Significance 0.1869 Supporting Reference Compounds 38 E-value 1455.24
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.367 Statistical Significance 0.2088 Supporting Reference Compounds 55 E-value 1625.73
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.292 Low confidence Statistical Significance 0.7351 Supporting Reference Compounds 406 E-value 5722.7
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.379 Statistical Significance 0.3507 Supporting Reference Compounds 75 E-value 2730.25
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.174 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 1 E-value 46.476
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.182 Low confidence Statistical Significance 0.7737 Supporting Reference Compounds 166 E-value 6023.19
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.393 Statistical Significance 0.661 Supporting Reference Compounds 77 E-value 5145.68
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P12657	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.367 Statistical Significance 0.0028 Supporting Reference Compounds 13 E-value 21.9535
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.222 Low confidence Statistical Significance 0.8261 Supporting Reference Compounds 126 E-value 6431.51
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.222 Low confidence Statistical Significance 0.8471 Supporting Reference Compounds 201 E-value 6594.92
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.19 Low confidence Statistical Significance 0.915 Supporting Reference Compounds 472 E-value 7122.97
Click to view 3D structure	Galanin receptor type 3	O60755	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.379 Statistical Significance 0.5055 Supporting Reference Compounds 41 E-value 3935.59
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.367 Statistical Significance 0.4965 Supporting Reference Compounds 52 E-value 3865.6
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.2 Low confidence Statistical Significance 0.9123 Supporting Reference Compounds 372 E-value 7102.26
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.2 Low confidence Statistical Significance 0.899 Supporting Reference Compounds 332 E-value 6998.57
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.261 Low confidence Statistical Significance 0.9847 Supporting Reference Compounds 797 E-value 7666.05