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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H18N2
Molecular Weight 166.2633
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAHYDRO-1H-AZEPINE-1-BUTANENITRILE

SMILES

N#CCCCN1CCCCCC1

InChI

InChIKey=OQPSAQBHEQYYMJ-UHFFFAOYSA-N
InChI=1S/C10H18N2/c11-7-3-6-10-12-8-4-1-2-5-9-12/h1-6,8-10H2

HIDE SMILES / InChI

Molecular Formula C10H18N2
Molecular Weight 166.2633
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 Sat Dec 16 12:17:46 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:46 GMT 2023
Record UNII
V9AX471ZUG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXAHYDRO-1H-AZEPINE-1-BUTANENITRILE
Systematic Name English
1H-AZEPINE-1-BUTANENITRILE, HEXAHYDRO-
Systematic Name English
1H-AZEPINE-1-BUTYRONITRILE, HEXAHYDRO-
Systematic Name English
NSC-165580
Code English
BUTYRONITRILE, 1-(HEXAHYDRO-1H-AZEPIN-1-YL)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00185780
Created by admin on Sat Dec 16 12:17:46 GMT 2023 , Edited by admin on Sat Dec 16 12:17:46 GMT 2023
PRIMARY
PUBCHEM
76663
Created by admin on Sat Dec 16 12:17:46 GMT 2023 , Edited by admin on Sat Dec 16 12:17:46 GMT 2023
PRIMARY
FDA UNII
V9AX471ZUG
Created by admin on Sat Dec 16 12:17:46 GMT 2023 , Edited by admin on Sat Dec 16 12:17:46 GMT 2023
PRIMARY
NSC
165580
Created by admin on Sat Dec 16 12:17:46 GMT 2023 , Edited by admin on Sat Dec 16 12:17:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-694-3
Created by admin on Sat Dec 16 12:17:46 GMT 2023 , Edited by admin on Sat Dec 16 12:17:46 GMT 2023
PRIMARY
CAS
3194-43-2
Created by admin on Sat Dec 16 12:17:46 GMT 2023 , Edited by admin on Sat Dec 16 12:17:46 GMT 2023
PRIMARY