α-Methyl-4-(2-methylpropyl)benzeneacetonitrile

CAS Registry Number®

58609-73-7
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CAS Name

α-Methyl-4-(2-methylpropyl)benzeneacetonitrile

Molecular Formula

C13H17N

Molecular Mass

187.28

Cite this Page

α-Methyl-4-(2-methylpropyl)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=58609-73-7 (retrieved 2024-05-18) (CAS RN: 58609-73-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PKQKHWNHCKNYSW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, α-methyl-4-(2-methylpropyl)-
  • α-Methyl-4-(2-methylpropyl)benzeneacetonitrile
  • 2-(4-Isobutylphenyl)propionitrile
  • 2-(4′-Isobutylphenyl)propionitrile
  • 2-(4-Isobutylphenyl)propanenitrile

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Deleted or Replaced CAS Registry Numbers

99148-34-2, 158268-53-2

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