3-Chloro-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile

CAS Registry Number®

17012-31-6
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CAS Name

3-Chloro-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile

Molecular Formula

C11H11ClN2

Molecular Mass

206.67

Cite this Page

3-Chloro-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17012-31-6 (retrieved 2024-09-07) (CAS RN: 17012-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98-99 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C11H11ClN2/c1-7-8-4-2-3-5-9(8)10(6-13)11(12)14-7/h2-5H2,1H3

InChIKey

InChIKey=FYNCNVGZPPZNPY-UHFFFAOYSA-N

SMILES

C(#N)C1=C2C(=C(C)N=C1Cl)CCCC2

Canonical SMILES

N#CC1=C(Cl)N=C(C2=C1CCCC2)C

Other Names for this Substance

  • 4-Isoquinolinecarbonitrile, 3-chloro-5,6,7,8-tetrahydro-1-methyl-
  • 3-Chloro-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile
  • 3-Chloro-4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinoline
  • 3-Chloro-1-methyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile
  • 3-Chloro-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile