1-Ethyl-4,5-dimethyl-3-oxidoimidazol-3-ium
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Basic information
- CAS
215675-45-9- Standard SMILES
CCn1c[n+]([O-])c(C)c1C- InChIKey
RGPLSOMOPLYLCR-UHFFFAOYSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-4,5-dimethyl-3-oxidoimidazol-3-ium
- IUPAC
- 1-ethyl-4,5-dimethyl-3-oxidoimidazol-3-ium
- English name
- 1H-Imidazole,1-ethyl-4,5-dimethyl-,3-oxide(9CI)
- Molecular formula
- C7H12N2O
- Molecular weight
- 140.18
Names & synonyms
1H-Imidazole, 1-ethyl-4,5-dimethyl-, 3-oxide1H-Imidazole,1-ethyl-4,5-dimethyl-,3-oxide(9CI)
Database identifiers
- CAS
215675-45-9- Nikkaji
- J1.009.822J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 30.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 273.4 · 273.4±43.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 2.36 · 2.36±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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