α,α-Diethylbenzeneacetonitrile

CAS Registry Number®

5336-57-2

CAS Name

α,α-Diethylbenzeneacetonitrile

Molecular Formula

C12H15N

Molecular Mass

173.25

Cite this Page

α,α-Diethylbenzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5336-57-2 (retrieved 2024-11-24) (CAS RN: 5336-57-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    247-249 °C @ Press: 752 Torr

  • Density (1)

    0.957 g/cm³ @ Temp: 16.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H15N/c1-3-12(4-2,10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3

InChIKey

InChIKey=NIWOFSGCBJZYJQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C=1C=CC=CC1)(CC)CC

Other Names for this Substance

  • Benzeneacetonitrile, α,α-diethyl-
  • Butyronitrile, 2-ethyl-2-phenyl-
  • α,α-Diethylbenzeneacetonitrile
  • 3-Cyano-3-phenylpentane
  • 2-Ethyl-2-phenylbutyronitrile

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Deleted or Replaced CAS Registry Numbers

70107-13-0

CAS INSIGHTSTM
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