4-Amino-1-(2-nitroimidazol-1-yl)butan-2-ol
Basic information
- CAS
93272-48-1- Standard SMILES
NCCC(O)Cn1ccnc1[N+](=O)[O-]- InChIKey
HKIPHCRWAYNUIU-UHFFFAOYSA-N- Molecular formula
- C7H12N4O3
- Average molar mass
- 200.2 g/mol
- Monoisotopic mass
- 200.09094026
Names & identifiers
- Preferred name
- 4-Amino-1-(2-nitroimidazol-1-yl)butan-2-ol
- IUPAC
- 4-amino-1-(2-nitroimidazol-1-yl)butan-2-ol
Names & synonyms
93272-48-14-amino-1-(2-nitroimidazol-1-yl)butan-2-olNSC358265DTXSID00331063NSC-3582654-Amino-1-(2-nitro-1H-imidazol-1-yl)butan-2-ol
Database identifiers
- CAS
93272-48-1- PubChem CID
- 434812
- DTXSID
DTXSID00331063
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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