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Details

Stereochemistry RACEMIC
Molecular Formula C13H17N
Molecular Weight 187.2808
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-Isobutylphenyl)propionitrile

SMILES

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

InChI

InChIKey=PKQKHWNHCKNYSW-UHFFFAOYSA-N
InChI=1S/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2-(4-Isobutylphenyl)propionitrile
Systematic Name English
2-(4-Isobutylphenyl)propanenitrile
Preferred Name English
2-(4?-Isobutylphenyl)propionitrile
Systematic Name English
Benzeneacetonitrile, ?-methyl-4-(2-methylpropyl)-
Systematic Name English
2-[4-(2-Methylpropyl)phenyl]propanenitrile
Systematic Name English
4-Isobutyl-?-methylbenzeneacetonitrile
Systematic Name English
?-Methyl-4-(2-methylpropyl)benzeneacetonitrile
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80974154
Created by admin on Wed Apr 02 17:54:41 GMT 2025 , Edited by admin on Wed Apr 02 17:54:41 GMT 2025
PRIMARY
PUBCHEM
108374
Created by admin on Wed Apr 02 17:54:41 GMT 2025 , Edited by admin on Wed Apr 02 17:54:41 GMT 2025
PRIMARY
FDA UNII
VH5U4L2QUM
Created by admin on Wed Apr 02 17:54:41 GMT 2025 , Edited by admin on Wed Apr 02 17:54:41 GMT 2025
PRIMARY
CAS
58609-73-7
Created by admin on Wed Apr 02 17:54:41 GMT 2025 , Edited by admin on Wed Apr 02 17:54:41 GMT 2025
PRIMARY