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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9N
Molecular Weight 131.1745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZONITRILE, 3-ETHYL-

SMILES

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

InChI

InChIKey=WEDBHNMGFLTQNC-UHFFFAOYSA-N
InChI=1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H9N
Molecular Weight 131.1745
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 Mon Mar 31 19:45:19 GMT 2025
Edited
by admin
on Mon Mar 31 19:45:19 GMT 2025
Record UNII
920IKI3200
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZONITRILE, 3-ETHYL-
Systematic Name English
NSC-86573
Preferred Name English
3-ETHYL-BENZONITRILE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90187718
Created by admin on Mon Mar 31 19:45:19 GMT 2025 , Edited by admin on Mon Mar 31 19:45:19 GMT 2025
PRIMARY
PUBCHEM
96692
Created by admin on Mon Mar 31 19:45:19 GMT 2025 , Edited by admin on Mon Mar 31 19:45:19 GMT 2025
PRIMARY
CAS
34136-57-7
Created by admin on Mon Mar 31 19:45:19 GMT 2025 , Edited by admin on Mon Mar 31 19:45:19 GMT 2025
PRIMARY
NSC
86573
Created by admin on Mon Mar 31 19:45:19 GMT 2025 , Edited by admin on Mon Mar 31 19:45:19 GMT 2025
PRIMARY
FDA UNII
920IKI3200
Created by admin on Mon Mar 31 19:45:19 GMT 2025 , Edited by admin on Mon Mar 31 19:45:19 GMT 2025
PRIMARY