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Substance Name: 1H-Imidazolium, 1-((cyclohexyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
RN: 117941-56-7
InChIKey: GMYHTBNBDYNDAI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N3-O2.Cl

Molecular Weight

  • 273.762
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117941-56-7

System Generated Number

  • 0117941567

Molecular Formulas

Molecular Formula

  • C12-H20-N3-O2.Cl

Molecular Formula Fragments

  • C12-H20-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H19N3O2.ClH/c1-14-7-8-15(12(14)9-13-16)10-17-11-5-3-2-4-6-11;/h7-9,11H,2-6,10H2,1H3;1H

InChIKey

GMYHTBNBDYNDAI-UHFFFAOYSA-N

Smiles

Cn1c(\C=N\O)[n+](COC2CCCCC2)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 71454ug/kg (71.454mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.02E+00 (none)   EXP
Water Solubility 1.29E+05 mg/L 25 EST
Vapor Pressure 1.07E-09 mm Hg 25 EST
Henry's Law Constant 2.41E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.28E-10 cm3/molecule-sec 25 EST

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