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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-1-methyl-3-((1-methylethoxy)methyl)-, chloride
RN: 91900-10-6
InChIKey: YAIOVNRRAGKGDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N3-O2.Cl

Molecular Weight

  • 233.6974
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 91900-10-6

System Generated Number

  • 0091900106

Molecular Formulas

Molecular Formula

  • C9-H16-N3-O2.Cl

Molecular Formula Fragments

  • C9-H16-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C9H15N3O2.ClH/c1-8(2)14-7-12-5-4-11(3)9(12)6-10-13;/h4-6,8H,7H2,1-3H3;1H

InChIKey

YAIOVNRRAGKGDY-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 97456ug/kg (97.456mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.17E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 5.92E-08 mm Hg 25 EST
Henry's Law Constant 2.34E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.15E-10 cm3/molecule-sec 25 EST

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