U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H18N2O3
Molecular Weight 190.2401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-BIS(4-HYDROXYBUTYL)NITROSAMINE

SMILES

OCCCCN(CCCCO)N=O

InChI

InChIKey=RPPBLDOPYFQRQU-UHFFFAOYSA-N
InChI=1S/C8H18N2O3/c11-7-3-1-5-10(9-13)6-2-4-8-12/h11-12H,1-8H2

HIDE SMILES / InChI

Molecular Formula C8H18N2O3
Molecular Weight 190.2401
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 Fri Dec 15 18:20:27 GMT 2023
Edited
by admin
on Fri Dec 15 18:20:27 GMT 2023
Record UNII
35LE58A79A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-BIS(4-HYDROXYBUTYL)NITROSAMINE
Common Name English
DI(4-HYDROXYBUTYL)NITROSAMINE, N,N-
Common Name English
N,N-DI(4-HYDROXYBUTYL)NITROSAMINE
Common Name English
LS-46588
Code English
Code System Code Type Description
PUBCHEM
32966
Created by admin on Fri Dec 15 18:20:27 GMT 2023 , Edited by admin on Fri Dec 15 18:20:27 GMT 2023
PRIMARY
FDA UNII
35LE58A79A
Created by admin on Fri Dec 15 18:20:27 GMT 2023 , Edited by admin on Fri Dec 15 18:20:27 GMT 2023
PRIMARY
CAS
25413-74-5
Created by admin on Fri Dec 15 18:20:27 GMT 2023 , Edited by admin on Fri Dec 15 18:20:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID40180077
Created by admin on Fri Dec 15 18:20:27 GMT 2023 , Edited by admin on Fri Dec 15 18:20:27 GMT 2023
PRIMARY