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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11N
Molecular Weight 145.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-DIMETHYLBENZYL CYANIDE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C10H11N
Molecular Weight 145.201
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 Tue Apr 01 19:10:30 GMT 2025
Edited
by admin
on Tue Apr 01 19:10:30 GMT 2025
Record UNII
ULT00P22MN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-85352
Preferred Name English
2,5-DIMETHYLBENZYL CYANIDE
Systematic Name English
BENZENEACETONITRILE, 2,5-DIMETHYL-
Systematic Name English
2,5-DIMETHYLBENZENEACETONITRILE
Systematic Name English
ACETONITRILE, (2,5-XYLYL)-
Systematic Name English
2,5-DIMETHYLPHENYLACETONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
27753
Created by admin on Tue Apr 01 19:10:30 GMT 2025 , Edited by admin on Tue Apr 01 19:10:30 GMT 2025
PRIMARY
CAS
16213-85-7
Created by admin on Tue Apr 01 19:10:30 GMT 2025 , Edited by admin on Tue Apr 01 19:10:30 GMT 2025
PRIMARY
FDA UNII
ULT00P22MN
Created by admin on Tue Apr 01 19:10:30 GMT 2025 , Edited by admin on Tue Apr 01 19:10:30 GMT 2025
PRIMARY
NSC
85352
Created by admin on Tue Apr 01 19:10:30 GMT 2025 , Edited by admin on Tue Apr 01 19:10:30 GMT 2025
PRIMARY
ECHA (EC/EINECS)
240-339-3
Created by admin on Tue Apr 01 19:10:30 GMT 2025 , Edited by admin on Tue Apr 01 19:10:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID90167313
Created by admin on Tue Apr 01 19:10:30 GMT 2025 , Edited by admin on Tue Apr 01 19:10:30 GMT 2025
PRIMARY