3-Quinuclidinyl benzilate

CAS Registry Number®

6581-06-2

CAS Name

3-Quinuclidinyl benzilate

Molecular Formula

C21H23NO3

Molecular Mass

337.41

Cite this Page

3-Quinuclidinyl benzilate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6581-06-2 (retrieved 2024-11-24) (CAS RN: 6581-06-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-165 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2

InChIKey

InChIKey=HGMITUYOCPPQLE-UHFFFAOYSA-N

SMILES

C(C(OC1C2CCN(C1)CC2)=O)(O)(C3=CC=CC=C3)C4=CC=CC=C4

Canonical SMILES

O=C(OC1CN2CCC1CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4

Other Names for this Substance

  • Benzeneacetic acid, α-hydroxy-α-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester
  • Benzilic acid, 3-quinuclidinyl ester
  • 3-Quinuclidinol, benzilate (ester)
  • 3-Hydroxyquinuclidine benzilate
  • Ro 2-3308

View All

Deleted or Replaced CAS Registry Numbers

4478-53-9, 70135-17-0, 160902-51-2

CAS INSIGHTSTM
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