1,3-Bis(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol
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Basic information
- CAS
74550-92-8- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CC(O)Cn1c([N+](=O)[O-])cnc1C- InChIKey
KAOLQMBIYJYWNM-UHFFFAOYSA-N- Molecular formula
- C11H14N6O5
- Average molar mass
- 310.27 g/mol
- Monoisotopic mass
- 310.10256755
Names & identifiers
- Preferred name
- 1,3-Bis(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol
- IUPAC
- 1,3-bis(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
- English name
- 1-Methyl-1,2-bis(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol
- Molecular formula
- C11H14N6O5
- Molecular weight
- 310.27
Names & synonyms
1,3-bis(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol74550-92-81,3-bis(2-methyl-5-nitroimidazol-1-yl)propan-2-olOrnidazole Impurity 141-Methyl-1,2-bis(2-methyl-5-nitro-1H-imidazol-1-yl)ethanolDA 3853CHEMBL345507SCHEMBL30174104DTXSID408764681H-Imidazole-1-ethanol, 2-methyl-alpha-((2-methyl-5-nitro-1H-imidazol-1-yl)methyl)-5-nitro-2-Methyl-alpha-((2-methyl-5-nitro-1H-imidazol-1-yl)methyl)-5-nitro-1H-imidazole-1-ethanol1H-IMIDAZOLE-1-ETHANOL, 2-METHYL-_-[(2-METHYL-5-
Show more names
DA-3853Ornidazole-001Morinidazole Impurity 9Morpholinenidazole impurity XVIIIMorpholine Nitrazole Impurity XVIIIDisodium phosphate levononidazole ester impurity 6Phosphoric acid levononidazole ester disodium impurity 61H-Imidazole-1-ethanol, 2-methyl-α-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-5-nitro-
Database identifiers
- CAS
74550-92-8- PubChem CID
- 93446
- DTXSID
DTXSID40876468- ChEMBL
CHEMBL345507
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
LogP0.31
Physicochemical properties
- Boiling point
- 657 · 657.0±55.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 13.7 · 13.70±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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