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 2-(O-TOLYL)ACETONITRILE

SMILES

CC1=CC=CC=C1CC#N

InChI

InChIKey=WMGVPDQNPUQRND-UHFFFAOYSA-N
InChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3

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 Sat Dec 16 12:27:45 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:45 GMT 2023
Record UNII
P36Y8LY38Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(O-TOLYL)ACETONITRILE
Systematic Name English
O-METHYLBENZYL NITRILE
Systematic Name English
BENZENEACETONITRILE, 2-METHYL-
Systematic Name English
ACETONITRILE, O-TOLYL-
Common Name English
O-METHYLPHENYLACETONITRILE
Systematic Name English
2-METHYLPHENYLACETONITRILE
Systematic Name English
O-TOLYLACETONITRILE
Systematic Name English
2-METHYLBENZENEACETONITRILE
Systematic Name English
2-METHYLBENZYL CYANIDE
Systematic Name English
NSC-75859
Code English
O-METHYLBENZYL CYANIDE
Systematic Name English
Code System Code Type Description
FDA UNII
P36Y8LY38Y
Created by admin on Sat Dec 16 12:27:45 GMT 2023 , Edited by admin on Sat Dec 16 12:27:45 GMT 2023
PRIMARY
CAS
22364-68-7
Created by admin on Sat Dec 16 12:27:45 GMT 2023 , Edited by admin on Sat Dec 16 12:27:45 GMT 2023
PRIMARY
PUBCHEM
31155
Created by admin on Sat Dec 16 12:27:45 GMT 2023 , Edited by admin on Sat Dec 16 12:27:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-937-5
Created by admin on Sat Dec 16 12:27:45 GMT 2023 , Edited by admin on Sat Dec 16 12:27:45 GMT 2023
PRIMARY
CHEBI
27982
Created by admin on Sat Dec 16 12:27:45 GMT 2023 , Edited by admin on Sat Dec 16 12:27:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID80176898
Created by admin on Sat Dec 16 12:27:45 GMT 2023 , Edited by admin on Sat Dec 16 12:27:45 GMT 2023
PRIMARY
NSC
75859
Created by admin on Sat Dec 16 12:27:45 GMT 2023 , Edited by admin on Sat Dec 16 12:27:45 GMT 2023
PRIMARY