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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N2
Molecular Weight 160.2157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Methylphenylamino)propanenitrile

SMILES

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

InChI

InChIKey=IXXLKTZOCSRXEM-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H12N2
Molecular Weight 160.2157
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 Tue Apr 01 20:16:57 GMT 2025
Edited
by admin
on Tue Apr 01 20:16:57 GMT 2025
Record UNII
3KJ99Q6LX2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Methylphenylamino)propanenitrile
Systematic Name English
Propanenitrile, 3-(methylphenylamino)-
Preferred Name English
CYANETHYL-N-METHYLANILINE N-
Common Name English
N-CYANETHYL-N-METHYLANILINE
Common Name English
NSC-91616
Code English
Code System Code Type Description
EPA CompTox
DTXSID6059102
Created by admin on Tue Apr 01 20:16:57 GMT 2025 , Edited by admin on Tue Apr 01 20:16:57 GMT 2025
PRIMARY
FDA UNII
3KJ99Q6LX2
Created by admin on Tue Apr 01 20:16:57 GMT 2025 , Edited by admin on Tue Apr 01 20:16:57 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-325-5
Created by admin on Tue Apr 01 20:16:57 GMT 2025 , Edited by admin on Tue Apr 01 20:16:57 GMT 2025
PRIMARY
NSC
91616
Created by admin on Tue Apr 01 20:16:57 GMT 2025 , Edited by admin on Tue Apr 01 20:16:57 GMT 2025
PRIMARY
PUBCHEM
66748
Created by admin on Tue Apr 01 20:16:57 GMT 2025 , Edited by admin on Tue Apr 01 20:16:57 GMT 2025
PRIMARY
CAS
94-34-8
Created by admin on Tue Apr 01 20:16:57 GMT 2025 , Edited by admin on Tue Apr 01 20:16:57 GMT 2025
PRIMARY