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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10N2
Molecular Weight 170.2105
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-1,3-BENZENEDIACETONITRILE

SMILES

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

InChI

InChIKey=XJCXEUYJQHPEAE-UHFFFAOYSA-N
InChI=1S/C11H10N2/c1-9-6-10(2-4-12)8-11(7-9)3-5-13/h6-8H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H10N2
Molecular Weight 170.2105
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 15:25:20 GMT 2023
Edited
by admin
on Sat Dec 16 15:25:20 GMT 2023
Record UNII
73SN5NM7V5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-1,3-BENZENEDIACETONITRILE
Systematic Name English
2,2'-(5-Methyl-1,3-phenylene)diacetonitrile
Systematic Name English
5-Methylbenzene-1,3-diacetonitrile
Systematic Name English
(3-Cyanomethyl-5-methylphenyl)acetonitrile
Systematic Name English
1,3-Benzenediacetonitrile, 5-methyl-
Systematic Name English
Code System Code Type Description
CAS
120511-74-2
Created by admin on Sat Dec 16 15:25:20 GMT 2023 , Edited by admin on Sat Dec 16 15:25:20 GMT 2023
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PUBCHEM
19349396
Created by admin on Sat Dec 16 15:25:20 GMT 2023 , Edited by admin on Sat Dec 16 15:25:20 GMT 2023
PRIMARY
FDA UNII
73SN5NM7V5
Created by admin on Sat Dec 16 15:25:20 GMT 2023 , Edited by admin on Sat Dec 16 15:25:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID20923444
Created by admin on Sat Dec 16 15:25:20 GMT 2023 , Edited by admin on Sat Dec 16 15:25:20 GMT 2023
PRIMARY