Basic information
- CAS
22877-76-5- Standard SMILES
CCCc1cnc([N+](=O)[O-])n1CCO- InChIKey
GWZPIQCXKKBYAW-UHFFFAOYSA-N- Molecular formula
- C8H13N3O3
- Average molar mass
- 199.21 g/mol
- Monoisotopic mass
- 199.09569129
Names & identifiers
- Preferred name
- Imidazole-1-ethanol, 2-nitro-5-propyl-
- IUPAC
- 2-(2-nitro-5-propylimidazol-1-yl)ethanol
- English name
- 2-Nitro-5-propyl-1H-imidazole-1-ethanol
- Molecular weight
- 0
Names & synonyms
Imidazole-1-ethanol, 2-nitro-5-propyl-BRN 064887922877-76-52-Nitro-5-propylimidazole-1-ethanolDTXSID801774215-23-05-00206 (Beilstein Handbook Reference)RefChem:348891DTXCID80999122-Nitro-5-propyl-1H-imidazole-1-ethanol2-(2-nitro-5-propyl-1H-imidazol-1-yl)ethan-1-ol
Database identifiers
- CAS
22877-76-5- PubChem CID
- 89880
- DTXSID
DTXSID80177421- Nikkaji
- J49.332E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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