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Substance Name: Laurosept
RN: 104-73-4
InChIKey: PNXWPUCNFMVBBK-UHFFFAOYSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C17-H30-N.Br

Molecular Weight

  • 328.335
 
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Names and Synonyms

Name of Substance

  • Laurosept

Synonym

  • EINECS 203-231-7

Systematic Names

  • 1-Dodecylpyridinium bromide
  • Pyridinium, 1-dodecyl-, bromide
  • Pyridinium, 1-dodecyl-, bromide (1:1)

Registry Numbers

CAS Registry Number

  • 104-73-4

Other Registry Number

  • 101613-97-2

Related Registry Numbers

  • 104-74-5 (chloride)
  • 17342-21-1 (sulfate)
  • 3026-66-2 (iodide)

System Generated Number

  • 0000104734

Molecular Formulas

Molecular Formula

  • C17-H30-N.Br

Molecular Formula Fragments

  • Br
  • C17-H30-N
  • COMPONENT

Structure Descriptors

InChI

1S/C17H30N.BrH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1

InChIKey

PNXWPUCNFMVBBK-UHFFFAOYSA-M

Smiles

c1ccc[n+](c1)CCCCCCCCCCCC.[BrH-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.44 (none)   EXP
Water Solubility 3520 mg/L 25 EST
Vapor Pressure 1.17E-05 mm Hg 25 EST
Henry's Law Constant 3.39E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.56E-11 cm3/molecule-sec 25 EST

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