Quinisocaine

CAS Registry Number®

86-80-6

CAS Name

Quinisocaine

Molecular Formula

C17H24N2O

Molecular Mass

272.39

Cite this Page

Quinisocaine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86-80-6 (retrieved 2024-11-21) (CAS RN: 86-80-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    155-157 °C @ Press: 3 Torr

  • Melting Point (2)

    146 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3

InChIKey

InChIKey=XNMYNYSCEJBRPZ-UHFFFAOYSA-N

SMILES

O(CCN(C)C)C=1C2=C(C=C(CCCC)N1)C=CC=C2

Canonical SMILES

N=1C(OCCN(C)C)=C2C=CC=CC2=CC1CCCC

Other Names for this Substance

  • Ethanamine, 2-[(3-butyl-1-isoquinolinyl)oxy]-N,N-dimethyl-
  • Isoquinoline, 3-butyl-1-[2-(dimethylamino)ethoxy]-
  • 2-[(3-Butyl-1-isoquinolinyl)oxy]-N,N-dimethylethanamine
  • Dimethisoquin
  • 1-(β-Dimethylaminoethoxy)-3-n-butylisoquinoline

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration