Imidazole-1-ethanol, 5-ethyl-2-nitro-
Basic information
- CAS
23571-39-3- Standard SMILES
CCc1cnc([N+](=O)[O-])n1CCO- InChIKey
ABGJIKXMJUSARA-UHFFFAOYSA-N- Molecular formula
- C7H11N3O3
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.08004122
Names & identifiers
- Preferred name
- Imidazole-1-ethanol, 5-ethyl-2-nitro-
- IUPAC
- 2-(5-ethyl-2-nitroimidazol-1-yl)ethanol
- English name
- 5-Ethyl-2-nitro-1H-imidazole-1-ethanol
- Molecular formula
- C7H11N3O3
- Molecular weight
- 185.18
Names & synonyms
Imidazole-1-ethanol, 5-ethyl-2-nitro-23571-39-35-Ethyl-2-nitroimidazole-1-ethanolBRN 06479762-(5-ethyl-2-nitro-1H-imidazol-1-yl)ethan-1-olDTXSID701782005-Ethyl-2-nitro-1H-imidazole-1-ethanol1H-Imidazole-1-ethanol, 5-ethyl-2-nitro-
Database identifiers
- CAS
23571-39-3- PubChem CID
- 90178
- DTXSID
DTXSID70178200- Nikkaji
- J49.330I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 406.8 · 406.8±47.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 14.24 · 14.24±0.10(Predicted)
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Related reactions
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Compound notes
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