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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-1-(methoxymethyl)-3-methyl-, chloride
RN: 91900-09-3
InChIKey: HTKFJJITPRZSPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-N3-O2.Cl

Molecular Weight

  • 205.6438
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 91900-09-3

System Generated Number

  • 0091900093

Molecular Formulas

Molecular Formula

  • C7-H12-N3-O2.Cl

Molecular Formula Fragments

  • C7-H12-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C7H11N3O2.ClH/c1-9-3-4-10(6-12-2)7(9)5-8-11;/h3-5H,6H2,1-2H3;1H

InChIKey

HTKFJJITPRZSPS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 128mg/kg (128mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -3.00E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 2.16E-07 mm Hg 25 EST
Henry's Law Constant 1.33E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.04E-10 cm3/molecule-sec 25 EST

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