alpha-(1-Aziridinylmethyl)-2-methyl-4-nitro-1H-imidazole-1-ethanol
Basic information
- CAS
105027-79-0- Standard SMILES
Cc1nc([N+](=O)[O-])cn1CC(O)CN1CC1- InChIKey
RZVBSKBBNIMKCD-UHFFFAOYSA-N- Molecular formula
- C9H14N4O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.10659032
Names & identifiers
- Preferred name
- alpha-(1-Aziridinylmethyl)-2-methyl-4-nitro-1H-imidazole-1-ethanol
- IUPAC
- 1-(aziridin-1-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol
Names & synonyms
105027-79-0alpha-(1-Aziridinylmethyl)-2-methyl-4-nitro-1H-imidazole-1-ethanol1-(aziridin-1-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-olRSU 11701H-Imidazole-1-ethanol, alpha-(1-aziridinylmethyl)-2-methyl-4-nitro-DTXSID009093071-(Aziridin-1-yl)-3-(2-methyl-4-nitro-1H-imidazol-1-yl)propan-2-ol
Database identifiers
- CAS
105027-79-0- PubChem CID
- 149674
- DTXSID
DTXSID00909307
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
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Compound notes
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