4-(1,1-Dimethylethyl)-2,6-dimethylbenzeneacetonitrile

CAS Registry Number®

84803-57-6
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CAS Name

4-(1,1-Dimethylethyl)-2,6-dimethylbenzeneacetonitrile

Molecular Formula

C14H19N

Molecular Mass

201.31

Cite this Page

4-(1,1-Dimethylethyl)-2,6-dimethylbenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=84803-57-6 (retrieved 2024-04-30) (CAS RN: 84803-57-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    169-170 °C @ Press: 23 Torr

  • Melting Point (1)

    90 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H19N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6H2,1-5H3

InChIKey

InChIKey=ZUXNULGHCOXCFL-UHFFFAOYSA-N

SMILES

C(C#N)C1=C(C)C=C(C(C)(C)C)C=C1C

Canonical SMILES

N#CCC=1C(=CC(=CC1C)C(C)(C)C)C

Other Names for this Substance

  • Benzeneacetonitrile, 4-(1,1-dimethylethyl)-2,6-dimethyl-
  • 4-(1,1-Dimethylethyl)-2,6-dimethylbenzeneacetonitrile
  • 4-tert-Butyl-2,6-dimethylphenylacetonitrile
  • 2-(4-tert-Butyl-2,6-dimethylphenyl)acetonitrile

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