Pyrrobutamine

CAS Registry Number®

91-82-7

CAS Name

Pyrrobutamine

Molecular Formula

C20H22ClN

Molecular Mass

311.85

Cite this Page

Pyrrobutamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91-82-7 (retrieved 2024-11-22) (CAS RN: 91-82-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    192 °C

  • Melting Point (1)

    48.5 °C

  • Density (2)

    1.1052 g/cm³ @ Temp: 25 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2

InChIKey

InChIKey=WDYYVNNRTDZKAZ-UHFFFAOYSA-N

SMILES

C(CC1=CC=C(Cl)C=C1)(=CCN2CCCC2)C3=CC=CC=C3

Canonical SMILES

ClC1=CC=C(C=C1)CC(=CCN2CCCC2)C=3C=CC=CC3

Other Names for this Substance

  • Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-buten-1-yl]-
  • Pyrrolidine, 1-[γ-(p-chlorobenzyl)cinnamyl]-
  • Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-
  • 1-[4-(4-Chlorophenyl)-3-phenyl-2-buten-1-yl]pyrrolidine
  • Pyrrobutamine

CAS INSIGHTSTM
Targeted protein degrader structure, illustration