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Details

Stereochemistry ACHIRAL
Molecular Formula C7H16N2O2
Molecular Weight 160.2141
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Butyl(3-hydroxypropyl)nitrosamine

SMILES

CCCCN(CCCO)N=O

InChI

InChIKey=NXTAUOKPRBKNBV-UHFFFAOYSA-N
InChI=1S/C7H16N2O2/c1-2-3-5-9(8-11)6-4-7-10/h10H,2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H16N2O2
Molecular Weight 160.2141
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:46:52 GMT 2025
Edited
by admin
on Mon Mar 31 18:46:52 GMT 2025
Record UNII
E7W6KJ5EQZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butyl(3-hydroxypropyl)nitrosamine
Systematic Name English
1-Propanol, 3-(butylnitrosoamino)-
Preferred Name English
3-(Butylnitrosoamino)-1-propanol
Systematic Name English
Butyl-N-(3-hydroxypropyl)nitrosamine, N-
Systematic Name English
Code System Code Type Description
CAS
51938-13-7
Created by admin on Mon Mar 31 18:46:52 GMT 2025 , Edited by admin on Mon Mar 31 18:46:52 GMT 2025
PRIMARY
PUBCHEM
3035031
Created by admin on Mon Mar 31 18:46:52 GMT 2025 , Edited by admin on Mon Mar 31 18:46:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID00199903
Created by admin on Mon Mar 31 18:46:52 GMT 2025 , Edited by admin on Mon Mar 31 18:46:52 GMT 2025
PRIMARY
FDA UNII
E7W6KJ5EQZ
Created by admin on Mon Mar 31 18:46:52 GMT 2025 , Edited by admin on Mon Mar 31 18:46:52 GMT 2025
PRIMARY