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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6N2
Molecular Weight 142.1573
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Cyanophenylacetonitrile

SMILES

N#CCC1=CC=C(C=C1)C#N

InChI

InChIKey=QILKKAFYAFEWGU-UHFFFAOYSA-N
InChI=1S/C9H6N2/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5H2

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Cyanophenylacetonitrile
Systematic Name English
NSC-97215
Preferred Name English
p-Cyanobenzylcyanide
Systematic Name English
4-Cyanomethylbenzonitrile
Systematic Name English
4-Cyanobenzeneacetonitrile
Systematic Name English
4-(Cyanomethyl)benzonitrile
Common Name English
Benzeneacetonitrile, 4-cyano-
Systematic Name English
?-Cyano-p-tolunitrile
Systematic Name English
p-Tolunitrile, ?-cyano-
Systematic Name English
Code System Code Type Description
FDA UNII
JJ55PFL4NS
Created by admin on Wed Apr 02 14:33:28 GMT 2025 , Edited by admin on Wed Apr 02 14:33:28 GMT 2025
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EPA CompTox
DTXSID40236503
Created by admin on Wed Apr 02 14:33:28 GMT 2025 , Edited by admin on Wed Apr 02 14:33:28 GMT 2025
PRIMARY
NSC
97215
Created by admin on Wed Apr 02 14:33:28 GMT 2025 , Edited by admin on Wed Apr 02 14:33:28 GMT 2025
PRIMARY
PUBCHEM
136686
Created by admin on Wed Apr 02 14:33:28 GMT 2025 , Edited by admin on Wed Apr 02 14:33:28 GMT 2025
PRIMARY
CAS
876-31-3
Created by admin on Wed Apr 02 14:33:28 GMT 2025 , Edited by admin on Wed Apr 02 14:33:28 GMT 2025
PRIMARY