|
|
Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((2-propynyloxy)methyl)-, chloride
RN: 117982-94-2
InChIKey: KGQXYKPFNXVZOH-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C9-H12-N3-O2.Cl
Molecular Weight
- 229.666
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Formulas
- Structure Descriptors
- Toxicity
- Physical Properties
Names and Synonyms
Synonym
- 2-((Hydroxyimino)methyl)-3-methyl-1-((2'-propyn-1'-yloxy)methyl)imidazolium chloride
Systematic Name
- 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((2-propynyloxy)methyl)-, chloride
Registry Numbers
CAS Registry Number
- 117982-94-2
System Generated Number
- 0117982942
Molecular Formulas
Molecular Formula
- C9-H12-N3-O2.Cl
Molecular Formula Fragments
- C9-H12-N3-O2
- Cl
- COMPONENT
Structure Descriptors
InChI
1S/C9H11N3O2.ClH/c1-3-6-14-8-12-5-4-11(2)9(12)7-10-13;/h1,4-5,7H,6,8H2,2H3;1HInChIKey
KGQXYKPFNXVZOH-UHFFFAOYSA-NSmiles
Cn1c(\C=N\O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intramuscular | 124mg/kg (124mg/kg) | Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | -2.90E+00 | (none) | EXP | |
Water Solubility | 1.00E+06 | mg/L | 25 | EST |
Vapor Pressure | 2.00E-08 | mm Hg | 25 | EST |
Henry's Law Constant | 2.89E-16 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.16E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.