α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile

CAS Registry Number®

27487-83-8

CAS Name

α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile

Molecular Formula

C16H22ClNO2

Molecular Mass

295.80

Cite this Page

α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142629-71-8 (retrieved 2024-11-23) (CAS RN: 27487-83-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160-165 °C @ Press: 0.05 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C16H22ClNO2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9H2,1-4H3

InChIKey

InChIKey=VDQLTWSIHIWIFQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetonitrile, α-(3-chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)-
  • Valeronitrile, 5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropyl-
  • α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile

Deleted or Replaced CAS Registry Numbers

142629-71-8

CAS INSIGHTSTM
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