Basic information
- CAS
5230-86-4- Standard SMILES
CCNCC(O)Cn1ccnc1[N+](=O)[O-]- InChIKey
MXPLMUOITNKUHU-UHFFFAOYSA-N- Molecular formula
- C8H14N4O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.10659032
Names & identifiers
- Preferred name
- 1-(Ethylamino)-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol
- IUPAC
- 1-(ethylamino)-3-(2-nitroimidazol-1-yl)propan-2-ol
Names & synonyms
5230-86-4CHEMBL869961-(Ethylamino)-3-(2-nitro-1H-imidazol-1-yl)propan-2-olDTXSID40966676
Database identifiers
- CAS
5230-86-4- PubChem CID
- 432425
- DTXSID
DTXSID40966676- ChEMBL
CHEMBL86996- Nikkaji
- J343.796E
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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