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Substance Name: Bibenzonium bromide [INN:BAN]
RN: 15585-70-3
UNII: 4455J9277Q
InChIKey: APVMLVNTOWQOHL-UHFFFAOYSA-M

Molecular Formulas

  • C19-H26-Br-N-O
  • C19-H26-N-O.Br

Molecular Weight

  • 364.324
 
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Names and Synonyms

Name of Substance

  • Bibenzonium bromide [INN:BAN]

Synonyms

  • (2-(1,2-Diphenylethoxy)ethyltrimethyl)ammonium bromide
  • Bibenzonii bromidum
  • Bibenzonii bromidum [INN-Latin]
  • Bibenzonio bromuro
  • Bibenzonio bromuro [DCIT]
  • Bibenzonium bromide
  • Bromure de bibenzonium
  • Bromure de bibenzonium [INN-French]
  • Bromuro de bibenzonio
  • Bromuro de bibenzonio [INN-Spanish]
  • EINECS 239-643-9
  • UNII-4455J9277Q

Systematic Names

  • (2-(1,2-Diphenylethoxy)ethyltrimethyl)ammonium bromide
  • Bibenzonium bromide

Registry Numbers

CAS Registry Number

  • 15585-70-3

FDA UNII

  • 4455J9277Q

System Generated Number

  • 0015585703

Molecular Formulas

Molecular Formulas

  • C19-H26-Br-N-O
  • C19-H26-N-O.Br

Molecular Formula Fragments

  • Br
  • C19-H26-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C19H26NO.BrH/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17;/h4-13,19H,14-16H2,1-3H3;1H/q+1;/p-1

InChIKey

APVMLVNTOWQOHL-UHFFFAOYSA-M

Smiles

[N+](CCO[C@@H](Cc1ccccc1)c1ccccc1)(C)(C)C.[BrH-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 145.5 deg C   EXP
log P (octanol-water) 0.630 (none)   EST
Atmospheric OH Rate Constant 6.64E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.