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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14N2O3
Molecular Weight 174.1977
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Butyl-N-(acetoxymethyl)nitrosamine

SMILES

CCCCN(COC(C)=O)N=O

InChI

InChIKey=YMUAXKYTHNCMAS-UHFFFAOYSA-N
InChI=1S/C7H14N2O3/c1-3-4-5-9(8-11)6-12-7(2)10/h3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
N-Butyl-N-(acetoxymethyl)nitrosamine
Systematic Name English
Acetoxymethyl-N-butylnitrosamine, N-
Preferred Name English
[Butyl(nitroso)amino]methyl acetate
Systematic Name English
Methanol, 1-(butylnitrosoamino)-, 1-acetate
Systematic Name English
Butylacetoxymethylnitrosamine
Systematic Name English
Code System Code Type Description
PUBCHEM
42095
Created by admin on Mon Mar 31 19:27:49 GMT 2025 , Edited by admin on Mon Mar 31 19:27:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID20972472
Created by admin on Mon Mar 31 19:27:49 GMT 2025 , Edited by admin on Mon Mar 31 19:27:49 GMT 2025
PRIMARY
CAS
56986-36-8
Created by admin on Mon Mar 31 19:27:49 GMT 2025 , Edited by admin on Mon Mar 31 19:27:49 GMT 2025
PRIMARY
FDA UNII
H6WX4935RS
Created by admin on Mon Mar 31 19:27:49 GMT 2025 , Edited by admin on Mon Mar 31 19:27:49 GMT 2025
PRIMARY
NIH
NCATS
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