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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 3,4-XYLYLACETONITRILE

SMILES

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

InChI

InChIKey=XNSHCUIBMZSUGL-UHFFFAOYSA-N
InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)7-9(8)2/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 Sat Dec 16 12:44:53 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:53 GMT 2023
Record UNII
CP3RTS4L38
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-XYLYLACETONITRILE
Systematic Name English
ACETONITRILE, 3,4-XYLYL-
Common Name English
BENZENEACETONITRILE, 3,4-DIMETHYL-
Systematic Name English
3,4-DIMETHYLBENZYL CYANIDE
Common Name English
(3,4-DIMETHYLPHENYL)ACETONITRILE
Common Name English
3,4-DIMETHYLBENZENEACETONITRILE
Systematic Name English
NSC-26232
Code English
Code System Code Type Description
FDA UNII
CP3RTS4L38
Created by admin on Sat Dec 16 12:44:53 GMT 2023 , Edited by admin on Sat Dec 16 12:44:53 GMT 2023
PRIMARY
PUBCHEM
76401
Created by admin on Sat Dec 16 12:44:53 GMT 2023 , Edited by admin on Sat Dec 16 12:44:53 GMT 2023
PRIMARY
CAS
3020-06-2
Created by admin on Sat Dec 16 12:44:53 GMT 2023 , Edited by admin on Sat Dec 16 12:44:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID80184296
Created by admin on Sat Dec 16 12:44:53 GMT 2023 , Edited by admin on Sat Dec 16 12:44:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-168-3
Created by admin on Sat Dec 16 12:44:53 GMT 2023 , Edited by admin on Sat Dec 16 12:44:53 GMT 2023
PRIMARY
NSC
26232
Created by admin on Sat Dec 16 12:44:53 GMT 2023 , Edited by admin on Sat Dec 16 12:44:53 GMT 2023
PRIMARY