Basic information
- CAS
23571-36-0- Standard SMILES
CCn1c(C)cnc1[N+](=O)[O-]- InChIKey
NIZHAUDFIOIGPX-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- Imidazole, 1-ethyl-5-methyl-2-nitro-
- IUPAC
- 1-ethyl-5-methyl-2-nitroimidazole
- English name
- 1-Ethyl-5-methyl-2-nitro-1H-imidazole
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
1-Ethyl-5-methyl-2-nitroimidazole23571-36-0Imidazole, 1-ethyl-5-methyl-2-nitro-DTXSID60178198RefChem:348845DTXCID901006891-ethyl-5-methyl-2-nitro-1h-imidazoleSCHEMBL11777752NIZHAUDFIOIGPX-UHFFFAOYSA-N1H-Imidazole, 1-ethyl-5-methyl-2-nitro-
Database identifiers
- CAS
23571-36-0- PubChem CID
- 90176
- DTXSID
DTXSID60178198- Nikkaji
- J49.335J
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 1.5 · 1.50±0.34(Predicted)
Related reactions
3 records
Compound notes
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