2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile

CAS Registry Number®

20850-49-1

CAS Name

2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile

Molecular Formula

C13H17NO2

Molecular Mass

219.28

Cite this Page

2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20850-49-1 (retrieved 2024-11-21) (CAS RN: 20850-49-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160-166 °C @ Press: 6 Torr

  • Melting Point (1)

    49-51 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H17NO2/c1-9(2)11(8-14)10-5-6-12(15-3)13(7-10)16-4/h5-7,9,11H,1-4H3

InChIKey

InChIKey=NFXAXMOAVPLEBH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, 3,4-dimethoxy-α-(1-methylethyl)-
  • Butyronitrile, 2-(3,4-dimethoxyphenyl)-3-methyl-
  • 3,4-Dimethoxy-α-(1-methylethyl)benzeneacetonitrile
  • 2-(3,4-Dimethoxyphenyl)-3-methylbutyronitrile
  • 2-(3,4-Dimethoxyphenyl)-2-isopropylacetonitrile

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Deleted or Replaced CAS Registry Numbers

130209-37-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration