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Details

Stereochemistry RACEMIC
Molecular Formula C8H18N2O2
Molecular Weight 174.2407
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CCCCN(N=O)C(O)CCC

InChI

InChIKey=QBBVUPNWYMMECP-UHFFFAOYSA-N
InChI=1S/C8H18N2O2/c1-3-5-7-10(9-12)8(11)6-4-2/h8,11H,3-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H18N2O2
Molecular Weight 174.2407
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:08:11 GMT 2025
Edited
by admin
on Mon Mar 31 22:08:11 GMT 2025
Record UNII
RYA89EH6FW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Butanol, 1-(butylnitrosoamino)-
Preferred Name English
N-Butyl-N-(?-hydroxybutyl)nitrosamine
Systematic Name English
1-(Butylnitrosoamino)-1-butanol
Systematic Name English
Code System Code Type Description
PUBCHEM
186984
Created by admin on Mon Mar 31 22:08:11 GMT 2025 , Edited by admin on Mon Mar 31 22:08:11 GMT 2025
PRIMARY
CAS
78619-31-5
Created by admin on Mon Mar 31 22:08:11 GMT 2025 , Edited by admin on Mon Mar 31 22:08:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID50999910
Created by admin on Mon Mar 31 22:08:11 GMT 2025 , Edited by admin on Mon Mar 31 22:08:11 GMT 2025
PRIMARY
FDA UNII
RYA89EH6FW
Created by admin on Mon Mar 31 22:08:11 GMT 2025 , Edited by admin on Mon Mar 31 22:08:11 GMT 2025
PRIMARY