alpha(or beta)-methyl-1H-imidazole-1-ethanol
Basic information
- CAS
191725-72-1- Standard SMILES
CC(CO)n1ccnc1- InChIKey
ZEMKCDHZMTZUKJ-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931295
Names & identifiers
- Preferred name
- alpha(or beta)-methyl-1H-imidazole-1-ethanol
- IUPAC
- 2-imidazol-1-ylpropan-1-ol
- English name
- 1H-Imidazole-1-ethanol,beta-methyl-(9CI)
- Molecular formula
- C6H10N2O
- Molecular weight
- 126.158
Names & synonyms
68132-83-2alpha(Or beta)-methyl-1H-imidazole-1-ethanolEINECS 268-652-01H-Imidazole-1-ethanol, alpha(or beta)-methyl-1H-Imidazole-1-ethanol, .alpha.(or .beta.)-methyl-RefChem:554990DTXSID001066001268-652-02-(1h-imidazol-1-yl)propan-1-ol191725-72-12-imidazol-1-ylpropan-1-ol2-(1H-IMIDAZOL-1-YL)-1-PROPANOL
Show more names
2-(1-imidazolyl)propan-1-ol1H-Imidazole-1-ethanol, β-methyl-2-(1H-imidazol-1-yl)-1-propanol(SALTDATA: FREE)
1H-Imidazole-1-ethanol,beta-methyl-(9CI)MFCD121984611H-imidazole-1-ethanol, beta-methyl-2-(1H-1-imidazolyl)-1-propanolSCHEMBL3307573SCHEMBL62713202-(imidazol-1-yl)-1-propanolDTXSID60276067
Database identifiers
- CAS
191725-72-1、68132-83-2- PubChem CID
- 109147
- DTXSID
DTXSID60276067- EC Number
- 268-652-0
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Physicochemical properties
- Boiling point
- 289.9 · 289.9±23.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 14.02 · 14.02±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1H-Imidazole-1-ethanol, .alpha.(or .beta.)-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazole-1-ethanol, .alpha.(or .beta.)-methyl-: INACTIVE
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Related reactions
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Compound notes
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