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

Details

Stereochemistry RACEMIC
Molecular Formula C10H11N
Molecular Weight 145.201
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Cyano-1-phenylpropane

SMILES

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

InChI

InChIKey=IZPUPXNVRNBDSW-UHFFFAOYSA-N
InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-Cyano-1-phenylpropane
Systematic Name English
NSC-11272
Preferred Name English
?-Ethylbenzeneacetonitrile (
Systematic Name English
Benzeneacetonitrile, ?-ethyl-
Systematic Name English
2-Phenylbutanenitrile
Systematic Name English
NSC-2373
Code English
Code System Code Type Description
CAS
769-68-6
Created by admin on Wed Apr 02 13:58:07 GMT 2025 , Edited by admin on Wed Apr 02 13:58:07 GMT 2025
PRIMARY
PUBCHEM
95334
Created by admin on Wed Apr 02 13:58:07 GMT 2025 , Edited by admin on Wed Apr 02 13:58:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-213-8
Created by admin on Wed Apr 02 13:58:07 GMT 2025 , Edited by admin on Wed Apr 02 13:58:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID00862408
Created by admin on Wed Apr 02 13:58:07 GMT 2025 , Edited by admin on Wed Apr 02 13:58:07 GMT 2025
PRIMARY
NSC
2373
Created by admin on Wed Apr 02 13:58:07 GMT 2025 , Edited by admin on Wed Apr 02 13:58:07 GMT 2025
PRIMARY
NSC
11272
Created by admin on Wed Apr 02 13:58:07 GMT 2025 , Edited by admin on Wed Apr 02 13:58:07 GMT 2025
PRIMARY
FDA UNII
NZJ9HHD5KE
Created by admin on Wed Apr 02 13:58:07 GMT 2025 , Edited by admin on Wed Apr 02 13:58:07 GMT 2025
PRIMARY