3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile

CAS Registry Number®

36622-33-0
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CAS Name

3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile

Molecular Formula

C14H19NO3

Molecular Mass

249.31

Cite this Page

3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36622-33-0 (retrieved 2024-07-02) (CAS RN: 36622-33-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    170-173 °C @ Press: 8 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C14H19NO3/c1-9(2)11(8-15)10-6-12(16-3)14(18-5)13(7-10)17-4/h6-7,9,11H,1-5H3

InChIKey

InChIKey=BATQRRPXKXQYAX-UHFFFAOYSA-N

SMILES

O(C)C1=C(OC)C=C(C(C(C)C)C#N)C=C1OC

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, 3,4,5-trimethoxy-α-(1-methylethyl)-
  • 3,4,5-Trimethoxy-α-(1-methylethyl)benzeneacetonitrile
  • α-Isopropyl-3,4,5-trimethoxybenzyl cyanide
  • α-Isopropyl-3,4,5-trimethoxyphenylacetonitrile
  • 3,4,5-Trimethoxy-α-(1-methylethyl)phenylacetonitrile

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Deleted or Replaced CAS Registry Numbers

38176-05-5