2-(3-Methyl-3-buten-1-yl)benzonitrile

CAS Registry Number®

731772-68-2
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CAS Name

2-(3-Methyl-3-buten-1-yl)benzonitrile

Molecular Formula

C12H13N

Molecular Mass

171.24

Cite this Page

2-(3-Methyl-3-buten-1-yl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=731772-68-2 (retrieved 2024-05-02) (CAS RN: 731772-68-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    100-115 °C @ Press: 0.02 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13N/c1-10(2)7-8-11-5-3-4-6-12(11)9-13/h3-6H,1,7-8H2,2H3

InChIKey

InChIKey=WRXDYGLTPCDALP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=CC=CC1CCC(=C)C

Other Names for this Substance

  • Benzonitrile, 2-(3-methyl-3-buten-1-yl)-
  • Benzonitrile, 2-(3-methyl-3-butenyl)-
  • 2-(3-Methyl-3-buten-1-yl)benzonitrile
  • 2-(3-Methylbut-3-enyl)benzonitrile

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