Imidazole-5-ethanol, 1-methyl-2-nitro-
Basic information
- CAS
23571-48-4- Standard SMILES
Cn1c(CCO)cnc1[N+](=O)[O-]- InChIKey
MMKOENPMBPNDHX-UHFFFAOYSA-N- Molecular formula
- C6H9N3O3
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.06439116
Names & identifiers
- Preferred name
- Imidazole-5-ethanol, 1-methyl-2-nitro-
- IUPAC
- 2-(3-methyl-2-nitroimidazol-4-yl)ethanol
- English name
- 1-Methyl-2-nitro-1H-imidazole-5-ethanol
- Molecular formula
- C6H9N3O3
- Molecular weight
- 171.15
Names & synonyms
Imidazole-5-ethanol, 1-methyl-2-nitro-23571-48-41-Methyl-2-nitroimidazole-5-ethanol1H-Imidazole-5-ethanol, 1-methyl-2-nitro-NSC 313397BRN 0781948DTXSID501782035-23-11-00018 (Beilstein Handbook Reference)RefChem:147981DTXCID401006941H-Imidazole-5-ethanol, 1-methyl-2-nitro-(9CI)NSC313397
Show more names
1-Methyl-2-nitro-1H-imidazole-5-ethanol2-(3-methyl-2-nitro-3H-imidazol-4-yl)-ethanol
2-(1-methyl-2-nitro-1H-imidazol-5-yl)ethan-1-olSCHEMBL5709535NSC-313397
Database identifiers
- CAS
23571-48-4- PubChem CID
- 90182
- DTXSID
DTXSID50178203- Nikkaji
- J86.835C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 406.8 · 406.8±37.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 14 · 14+-.0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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