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Substance Name: 1H-Imidazolium, 1-(((4,4-dimethyl-2-pentyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
RN: 117941-48-7
InChIKey: MCBNZMRZUYBCAD-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C13-H24-N3-O2.Cl
Molecular Weight
- 289.805
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Formulas
- Structure Descriptors
- Toxicity
- Physical Properties
Names and Synonyms
Synonym
- 1-(((4,4-Dimethyl-2-pentyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride
Systematic Name
- 1H-Imidazolium, 1-(((4,4-dimethyl-2-pentyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
Registry Numbers
CAS Registry Number
- 117941-48-7
System Generated Number
- 0117941487
Molecular Formulas
Molecular Formula
- C13-H24-N3-O2.Cl
Molecular Formula Fragments
- C13-H24-N3-O2
- Cl
- COMPONENT
Structure Descriptors
InChI
1S/C13H23N3O2.ClH/c1-11(8-13(2,3)4)18-10-16-7-6-15(5)12(16)9-14-17;/h6-7,9,11H,8,10H2,1-5H3;1HInChIKey
MCBNZMRZUYBCAD-UHFFFAOYSA-NSmiles
Cn1c(\C=N\O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intramuscular | 59412ug/kg (59.412mg/kg) | Journal of Medicinal Chemistry. Vol. 32, Pg. 493, 1989. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | -0.28 | (none) | EXP | |
Water Solubility | 2.44E+04 | mg/L | 25 | EST |
Vapor Pressure | 2.99E-09 | mm Hg | 25 | EST |
Henry's Law Constant | 7.26E-15 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.20E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.