Basic information
- CAS
88876-90-8- Standard SMILES
CCC1CN1CC(O)Cn1ccnc1[N+](=O)[O-]- InChIKey
QIBBGLLJMPXWKA-UHFFFAOYSA-N- Molecular formula
- C10H16N4O3
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.12224039
Names & identifiers
- Preferred name
- 1-(2-Ethylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
- IUPAC
- 1-(2-ethylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
Names & synonyms
88876-90-81-(2-ethylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-olNSC362804DTXSID90320643NSC-3628041-(2-Ethylaziridin-1-yl)-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol
Database identifiers
- CAS
88876-90-8- PubChem CID
- 338769
- DTXSID
DTXSID90320643
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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