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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N2
Molecular Weight 202.2954
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(BUTYLPHENYLAMINO)PROPANENITRILE

SMILES

CCCCN(CCC#N)C1=CC=CC=C1

InChI

InChIKey=KMGZOJSHGRNXOC-UHFFFAOYSA-N
InChI=1S/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H18N2
Molecular Weight 202.2954
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 12:01:39 GMT 2023
Edited
by admin
on Sat Dec 16 12:01:39 GMT 2023
Record UNII
FD7XA8E2QK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(BUTYLPHENYLAMINO)PROPANENITRILE
Systematic Name English
PROPANENITRILE, 3-(BUTYLPHENYLAMINO)-
Systematic Name English
N-BUTYL-N-(.BETA.-CYANOETHYL)ANILINE
Common Name English
3-(BUTYLPHENYLAMINO)PROPIONONITRILE
Systematic Name English
N-BUTYL-N-(2-CYANOETHYL)ANILINE
Common Name English
Code System Code Type Description
CAS
61852-40-2
Created by admin on Sat Dec 16 12:01:39 GMT 2023 , Edited by admin on Sat Dec 16 12:01:39 GMT 2023
PRIMARY
PUBCHEM
112757
Created by admin on Sat Dec 16 12:01:39 GMT 2023 , Edited by admin on Sat Dec 16 12:01:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID8069513
Created by admin on Sat Dec 16 12:01:39 GMT 2023 , Edited by admin on Sat Dec 16 12:01:39 GMT 2023
PRIMARY
FDA UNII
FD7XA8E2QK
Created by admin on Sat Dec 16 12:01:39 GMT 2023 , Edited by admin on Sat Dec 16 12:01:39 GMT 2023
PRIMARY
ECHA (EC/EINECS)
263-275-8
Created by admin on Sat Dec 16 12:01:39 GMT 2023 , Edited by admin on Sat Dec 16 12:01:39 GMT 2023
PRIMARY