Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, (m-bromobenzyl)trimethyl-, bromide
RN: 71323-99-4
InChIKey: CKKFZNCSQNYGKZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-Br-N.Br

Molecular Weight

  • 309.043
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • (m-Bromobenzyl)trimethylammonium bromide
  • N-(m-Bromobenzyl)-N,N,N-trimethylammonium bromide
  • WV 646
  • WV 646 [German]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71323-99-4

System Generated Number

  • 0071323994

Molecular Formulas

Molecular Formula

  • C10-H15-Br-N.Br

Molecular Formula Fragments

  • Br
  • C10-H15-Br-N
  • COMPONENT

Structure Descriptors

InChI

1S/C10H15BrN.BrH/c1-12(2,3)8-9-5-4-6-10(11)7-9;/h4-7H,8H2,1-3H3;1H/q+1;/p-1

InChIKey

CKKFZNCSQNYGKZ-UHFFFAOYSA-M

Smiles

c1(cc(ccc1)Br)C[N+](C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 51mg/kg (51mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 31, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.81E+00 (none)   EXP
Water Solubility 3.82E+05 mg/L 25 EST
Vapor Pressure 4.37E-09 mm Hg 25 EST
Henry's Law Constant 1.07E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-11 cm3/molecule-sec 25 EST

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