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Substance Name: 1H-Imidazolium, 1-(ethoxymethyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
RN: 117941-45-4
InChIKey: ZZAHYNKFAIDDJA-UXBLZVDNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H14-N3-O2.Cl

Molecular Weight

  • 221.6864
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117941-45-4

System Generated Number

  • 0117941454

Molecular Formulas

Molecular Formula

  • C8-H14-N3-O2.Cl

Molecular Formula Fragments

  • C8-H14-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C8H14ClN3O2/c1-3-14-7-11-4-5-12(2,9)8(11)6-10-13/h4-6,13H,3,7H2,1-2H3/b10-6+

InChIKey

ZZAHYNKFAIDDJA-UXBLZVDNSA-N

Smiles

CCOCN1=C(N(C=C1)(C)Cl)/C=N/O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 134mg/kg (134mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.70E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 7.96E-08 mm Hg 25 EST
Henry's Law Constant 1.76E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-10 cm3/molecule-sec 25 EST

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