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Substance Name: 1H-Imidazolium, 1-((1-cyclohexylethoxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
RN: 117941-62-5
InChIKey: DASGWSCKUOEYLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-N3-O2.Cl

Molecular Weight

  • 301.816
 
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Names and Synonyms

Synonym

  • 1-((1-Cyclohexylethoxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-1H-imidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117941-62-5

System Generated Number

  • 0117941625

Molecular Formulas

Molecular Formula

  • C14-H24-N3-O2.Cl

Molecular Formula Fragments

  • C14-H24-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H23N3O2.ClH/c1-12(13-6-4-3-5-7-13)19-11-17-9-8-16(2)14(17)10-15-18;/h8-10,12-13H,3-7,11H2,1-2H3;1H

InChIKey

DASGWSCKUOEYLP-UHFFFAOYSA-N

Smiles

Cn1c(\C=N\O)[n+](CO[C@@H](C2CCCCC2)C)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 157mg/kg (157mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.04 (none)   EXP
Water Solubility 1.11E+04 mg/L 25 EST
Vapor Pressure 2.80E-10 mm Hg 25 EST
Henry's Law Constant 4.25E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.29E-10 cm3/molecule-sec 25 EST

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