Basic information
- CAS
23585-79-7- Standard SMILES
CCc1cn(C)c([N+](=O)[O-])n1- InChIKey
JHUPSALKEOYJJF-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- 4-Ethyl-1-methyl-2-nitro-1H-imidazole
- IUPAC
- 4-ethyl-1-methyl-2-nitroimidazole
- English name
- 4-Ethyl-1-methyl-2-nitro-1H-imidazole
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
4-ethyl-1-methyl-2-nitro-1h-imidazole23585-79-7DTXSID50946388RefChem:1070605DTXCID1013746754-Ethyl-1-methyl-2-nitroimidazoleImidazole, 4-ethyl-1-methyl-2-nitro-1H-Imidazole, 4-ethyl-1-methyl-2-nitro-
Database identifiers
- CAS
23585-79-7- PubChem CID
- 90198
- DTXSID
DTXSID50946388- Nikkaji
- J49.336H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 320.1 · 320.1±35.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 1.6 · 1.60±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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