Carbetapentane

CAS Registry Number®

77-23-6

CAS Name

Carbetapentane

Molecular Formula

C20H31NO3

Molecular Mass

333.46

Cite this Page

Carbetapentane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77-23-6 (retrieved 2024-11-22) (CAS RN: 77-23-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    165-170 °C @ Press: 0.01 Torr

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3

InChIKey

InChIKey=CFJMRBQWBDQYMK-UHFFFAOYSA-N

SMILES

C(OCCOCCN(CC)CC)(=O)C1(CCCC1)C2=CC=CC=C2

Canonical SMILES

O=C(OCCOCCN(CC)CC)C1(C=2C=CC=CC2)CCCC1

Other Names for this Substance

  • Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester
  • Carbetapentane
  • 2-(Diethylaminoethoxy)ethyl 1-phenyl-1-cyclopentanecarboxylate
  • 2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate
  • Pentoxyverine

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration