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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((2-propenyloxy)methyl)-, chloride
RN: 117982-93-1
InChIKey: RQZCPCLQGVDXMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-N3-O2.Cl

Molecular Weight

  • 231.682
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117982-93-1

System Generated Number

  • 0117982931

Molecular Formulas

Molecular Formula

  • C9-H14-N3-O2.Cl

Molecular Formula Fragments

  • C9-H14-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13N3O2.ClH/c1-3-6-14-8-12-5-4-11(2)9(12)7-10-13;/h3-5,7H,1,6,8H2,2H3;1H

InChIKey

RQZCPCLQGVDXMN-UHFFFAOYSA-N

Smiles

Cn1c(\C=N\O)[n+](COCC=C)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.50E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 3.18E-08 mm Hg 25 EST
Henry's Law Constant 1.74E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.35E-10 cm3/molecule-sec 25 EST

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