α,α-Diethylbenzeneacetonitrile
CAS Registry Number®
5336-57-2
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CAS Name
α,α-DiethylbenzeneacetonitrileMolecular Formula
C12H15NMolecular Mass
173.25Cite 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 ) (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 TorrDensity (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
Deleted or Replaced CAS Registry Numbers
70107-13-0
