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Substance Name: 1H-Imidazolium, 1-((hexyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
RN: 117941-46-5
InChIKey: GRTMWFALBFFHOW-GXDHUFHOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H22-N3-O2.Cl

Molecular Weight

  • 277.7936
 
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Names and Synonyms

Synonym

  • 1-((1'-Hexyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117941-46-5

System Generated Number

  • 0117941465

Molecular Formulas

Molecular Formula

  • C12-H22-N3-O2.Cl

Molecular Formula Fragments

  • C12-H22-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C12H22ClN3O2/c1-3-4-5-6-9-18-11-15-7-8-16(2,13)12(15)10-14-17/h7-8,10,17H,3-6,9,11H2,1-2H3/b14-10+

InChIKey

GRTMWFALBFFHOW-GXDHUFHOSA-N

Smiles

CCCCCCOCN1=C(N(C=C1)(C)Cl)/C=N/O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 79427ug/kg (79.427mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.11 (none)   EXP
Water Solubility 2.10E+04 mg/L 25 EST
Vapor Pressure 1.71E-09 mm Hg 25 EST
Henry's Law Constant 5.47E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.18E-10 cm3/molecule-sec 25 EST

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