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Substance Name: 1H-Imidazolium, 1-((cyclododecyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
RN: 117941-59-0
InChIKey: APKRUWBFFNIPGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H32-N3-O2.Cl

Molecular Weight

  • 357.923
 
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Names and Synonyms

Synonym

  • 1-((Cyclododecyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Systematic Name

  • 1H-Imidazolium, 1-((cyclododecyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride

Registry Numbers

CAS Registry Number

  • 117941-59-0

System Generated Number

  • 0117941590

Molecular Formulas

Molecular Formula

  • C18-H32-N3-O2.Cl

Molecular Formula Fragments

  • C18-H32-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C18H31N3O2.ClH/c1-20-13-14-21(18(20)15-19-22)16-23-17-11-9-7-5-3-2-4-6-8-10-12-17;/h13-15,17H,2-12,16H2,1H3;1H

InChIKey

APKRUWBFFNIPGU-UHFFFAOYSA-N

Smiles

c1([n+](ccn1C)COC1CCCCCCCCCCC1)\C=N\O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 57628ug/kg (57.628mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.48 (none)   EXP
Water Solubility 302 mg/L 25 EST
Vapor Pressure 1.65E-12 mm Hg 25 EST
Henry's Law Constant 1.32E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.37E-10 cm3/molecule-sec 25 EST

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