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Details

Stereochemistry ACHIRAL
Molecular Formula C8H18N2O2
Molecular Weight 174.2407
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Butylnitrosoamino)-1-butanol

SMILES

CCCCN(CCCCO)N=O

InChI

InChIKey=DIKPQFXYECAYPC-UHFFFAOYSA-N
InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H18N2O2
Molecular Weight 174.2407
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 19:27:03 GMT 2025
Edited
by admin
on Mon Mar 31 19:27:03 GMT 2025
Record UNII
R2748J2P6S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butyl-N-(4-hydroxybutyl)nitrosamine, N-
Preferred Name English
4-(Butylnitrosoamino)-1-butanol
Systematic Name English
1-Butanol, 4-(butylnitrosoamino)-
Systematic Name English
Code System Code Type Description
FDA UNII
R2748J2P6S
Created by admin on Mon Mar 31 19:27:03 GMT 2025 , Edited by admin on Mon Mar 31 19:27:03 GMT 2025
PRIMARY
CAS
3817-11-6
Created by admin on Mon Mar 31 19:27:03 GMT 2025 , Edited by admin on Mon Mar 31 19:27:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID2020210
Created by admin on Mon Mar 31 19:27:03 GMT 2025 , Edited by admin on Mon Mar 31 19:27:03 GMT 2025
PRIMARY
PUBCHEM
19665
Created by admin on Mon Mar 31 19:27:03 GMT 2025 , Edited by admin on Mon Mar 31 19:27:03 GMT 2025
PRIMARY