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Details

Stereochemistry ACHIRAL
Molecular Formula C10H20N2O3
Molecular Weight 216.2774
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCCN(N=O)C(CCC)OC(C)=O

InChI

InChIKey=VDPXEEMENDRIRO-UHFFFAOYSA-N
InChI=1S/C10H20N2O3/c1-4-6-8-12(11-14)10(7-5-2)15-9(3)13/h10H,4-8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-BUTANOL, 1-(BUTYLNITROSOAMINO)-, ACETATE (ESTER)
Preferred Name English
N-Butyl-N-(?-acetoxybutyl)nitrosamine
Systematic Name English
1-[Butyl(nitroso)amino]butyl acetate
Systematic Name English
1-Butanol, 1-(butylnitrosoamino)-, 1-acetate
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60972471
Created by admin on Mon Mar 31 22:23:22 GMT 2025 , Edited by admin on Mon Mar 31 22:23:22 GMT 2025
PRIMARY
PUBCHEM
42094
Created by admin on Mon Mar 31 22:23:22 GMT 2025 , Edited by admin on Mon Mar 31 22:23:22 GMT 2025
PRIMARY
CAS
56986-35-7
Created by admin on Mon Mar 31 22:23:22 GMT 2025 , Edited by admin on Mon Mar 31 22:23:22 GMT 2025
PRIMARY
FDA UNII
P3E9CSR76N
Created by admin on Mon Mar 31 22:23:22 GMT 2025 , Edited by admin on Mon Mar 31 22:23:22 GMT 2025
PRIMARY
NIH
NCATS
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