Oxyphenonium bromide

CAS Registry Number®

50-10-2
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CAS Name

Oxyphenonium bromide

Molecular Formula

C21H34NO3.Br

Cite this Page

Oxyphenonium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50-10-2 (retrieved 2022-08-17) (CAS RN: 50-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1

InChIKey

InChIKey=UKLQXHUGTKWPSR-UHFFFAOYSA-M

SMILES

C(C(OCC[N+](CC)(CC)C)=O)(O)(C1CCCCC1)C2=CC=CC=C2.[Br-]

Canonical SMILES

[Br-].O=C(OCC[N+](C)(CC)CC)C(O)(C=1C=CC=CC1)C2CCCCC2

Other Names for this Substance

  • Ethanaminium, 2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide (1:1)
  • Diethyl(2-hydroxyethyl)methylammonium bromide α-phenylcyclohexaneglycolate
  • Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, α-phenylcyclohexaneglycolate
  • Ethanaminium, 2-[(cyclohexylhydroxyphenylacetyl)oxy]-N,N-diethyl-N-methyl-, bromide
  • Cyclohexaneglycolic acid, α-phenyl-, ester with diethyl(2-hydroxyethyl)methylammonium bromide

Deleted or Replaced CAS Registry Numbers

108940-72-3