1,2,3,4-Butanetetrayl nitrate (CED0162622)

Record Information

Version

1.0

Creation Date

2026-03-31 18:28:24 UTC

Update Date

2026-03-31 18:28:24 UTC

Accession Number

CHEM057269

Identification

Common Name

1,2,3,4-Butanetetrayl nitrate

Class

Small Molecule

Description

1,2,3,4-Butanetetrayl nitrate (C4H6N4O12) is a chemical compound with an average molecular weight of 302.11 g/mol. 1,2,3,4-Butanetetrayl nitrate belongs to the organic nitrates, a subclass of organic oxoanionic compounds within the organic compounds. This substance is further classified under the superclass of organic oxygen compounds. The compound is associated with eight recorded sources, specifically appearing in or being released from electrical and electronic equipment. These sources include antennas, microphones, amplifiers, loudspeakers, and electric hearing aids, among three other types of equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₆N₄O₁₂

Average Molecular Mass

302.108 g/mol

Monoisotopic Mass

301.998 g/mol

CAS Registry Number

7297-25-8;643-97-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[O-][N+](=O)OCC(O[N+]([O-])=O)C(CO[N+]([O-])=O)O[N+]([O-])=O

InChI Identifier

InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2

InChI Key

SNFOERUNNSHUGP-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
658.0	Log mg/kg	[370:1200]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
528	Microphones	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

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	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	7682.01
Click to view 3D structure	Metabotropic glutamate receptor 4	Q68EF4	Mus musculus	Predicted (SEA)	1037.96
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	7641.45
Click to view 3D structure	Metabotropic glutamate receptor 4	Q14833	Humans	Predicted (SEA)	7388.59
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7720.39
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7695.94
Click to view 3D structure	Patatin-like phospholipase domain-containing protein 6	Q3TRM4	Mus musculus	Predicted (SEA)	2889.61
Click to view 3D structure	Salicylate synthetase, Irp9	Q9X9I8	Yersinia enterocolitica	Predicted (SEA)	752.491
Click to view 3D structure	Sentrin-specific protease 8	Q96LD8	Humans	Predicted (SEA)	7508.4
Click to view 3D structure	Putative nitroreductase	Q4A0P1	Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)	Predicted (SEA)	248.495
Click to view 3D structure	Carboxylesterase	B3TNN2	Loxostege sticticalis	Predicted (SEA)	361.61
Click to view 3D structure	Neurotensin receptor type 1	P30989	Humans	Predicted (SEA)	7403.54
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	6957.77
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	Q13936	Humans	Predicted (SEA)	7649.46
Click to view 3D structure	Sentrin-specific protease 6	Q9GZR1	Humans	Predicted (SEA)	7489.87
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	149.081
Click to view 3D structure	Arabinose 5-phosphate isomerase KdsD	Q5NGP7	Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)	Predicted (SEA)	24.289
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7709.64
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7663.87
Click to view 3D structure	Arylsulfatase	P51691	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	388.39
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	7606.41
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7676.63
Click to view 3D structure	Multifunctional protein ADE2	P38024	Gallus gallus	Predicted (SEA)	378.114
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	7688.93
Click to view 3D structure	Fructose-bisphosphate aldolase, glycosomal	P07752	Trypanosoma brucei brucei	Predicted (SEA)	23.1212