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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N
Molecular Weight 159.2276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-Trimethylphenylacetonitrile

SMILES

CC1=CC(C)=C(CC#N)C(C)=C1

InChI

InChIKey=SDKQOGSGNPGPRN-UHFFFAOYSA-N
InChI=1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H13N
Molecular Weight 159.2276
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 12:32:53 GMT 2023
Edited
by admin
on Sat Dec 16 12:32:53 GMT 2023
Record UNII
S8V25LW8YP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6-Trimethylphenylacetonitrile
Systematic Name English
Benzeneacetonitrile, 2,4,6-trimethyl-
Systematic Name English
2,4,6-Trimethylbenzeneacetonitrile
Systematic Name English
Code System Code Type Description
CAS
34688-71-6
Created by admin on Sat Dec 16 12:32:53 GMT 2023 , Edited by admin on Sat Dec 16 12:32:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
252-151-9
Created by admin on Sat Dec 16 12:32:53 GMT 2023 , Edited by admin on Sat Dec 16 12:32:53 GMT 2023
PRIMARY
PUBCHEM
520698
Created by admin on Sat Dec 16 12:32:53 GMT 2023 , Edited by admin on Sat Dec 16 12:32:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID20188238
Created by admin on Sat Dec 16 12:32:53 GMT 2023 , Edited by admin on Sat Dec 16 12:32:53 GMT 2023
PRIMARY
FDA UNII
S8V25LW8YP
Created by admin on Sat Dec 16 12:32:53 GMT 2023 , Edited by admin on Sat Dec 16 12:32:53 GMT 2023
PRIMARY