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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-1-methyl-3-((octyloxy)methyl)-, chloride
RN: 91900-14-0
InChIKey: VMGTVVBGSTUZRH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H26-N3-O2.Cl

Molecular Weight

  • 303.8314
 
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Names and Synonyms

Synonym

  • 2-((Hydroxyimino)methyl)-1-methyl-3-((octyloxy)methyl)-1H-imidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 91900-14-0

System Generated Number

  • 0091900140

Molecular Formulas

Molecular Formula

  • C14-H26-N3-O2.Cl

Molecular Formula Fragments

  • C14-H26-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H25N3O2.ClH/c1-3-4-5-6-7-8-11-19-13-17-10-9-16(2)14(17)12-15-18;/h9-10,12H,3-8,11,13H2,1-2H3;1H

InChIKey

VMGTVVBGSTUZRH-UHFFFAOYSA-N

Smiles

CCCCCCCCOC[n+]1ccn(c1/C=N/O)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 28561ug/kg (28.561mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.88 (none)   EXP
Water Solubility 2070 mg/L 25 EST
Vapor Pressure 2.27E-10 mm Hg 25 EST
Henry's Law Constant 9.64E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.21E-10 cm3/molecule-sec 25 EST

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