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Substance Name: Ammonium, (m-methoxybenzyl)trimethyl-, bromide
RN: 71323-94-9
InChIKey: CIRWEZJXZRWTHE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N-O.Br

Molecular Weight

  • 260.173
 
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Names and Synonyms

Synonyms

  • (m-Methoxybenzyl)trimethylammonium bromide
  • N-(m-Methoxybenzyl)-N,N,N-trimethylammonium bromide
  • WV 719
  • WV 719 [German]

Systematic Name

  • Ammonium, (m-methoxybenzyl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 71323-94-9

System Generated Number

  • 0071323949

Molecular Formulas

Molecular Formula

  • C11-H18-N-O.Br

Molecular Formula Fragments

  • Br
  • C11-H18-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C11H18NO.BrH/c1-12(2,3)9-10-6-5-7-11(8-10)13-4;/h5-8H,9H2,1-4H3;1H/q+1;/p-1

InChIKey

CIRWEZJXZRWTHE-UHFFFAOYSA-M

Smiles

c1c(cccc1OC)C[N+](C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 141mg/kg (141mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 31, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.90E+00 (none)   EXP
Water Solubility 8.71E+05 mg/L 25 EST
Vapor Pressure 7.15E-09 mm Hg 25 EST
Henry's Law Constant 1.58E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.67E-11 cm3/molecule-sec 25 EST

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