Domiphen bromide

CAS Registry Number®

538-71-6
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CAS Name

Domiphen bromide

Molecular Formula

C22H40NO.Br

Cite this Page

Domiphen bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=538-71-6 (retrieved 2024-04-27) (CAS RN: 538-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112-113 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1

InChIKey

InChIKey=OJIYIVCMRYCWSE-UHFFFAOYSA-M

SMILES

O(CC[N+](CCCCCCCCCCCC)(C)C)C1=CC=CC=C1.[Br-]

Canonical SMILES

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

Other Names for this Substance

  • 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1)
  • Ammonium, dodecyldimethyl(2-phenoxyethyl)-, bromide
  • 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide
  • Dodecyldimethyl(2-phenoxyethyl)ammonium bromide
  • Bradosol

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Deleted or Replaced CAS Registry Numbers

138846-42-1, 2702-99-0, 12040-53-8

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