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Molecule
2-Methyl-1H-Imidazole-1-Ethanol
CAS: 1615-15-2 · C6H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1615-15-2
- Molecular Formula
- C6H10N2O
- Molecular Mass
- 126.16 g/mol
Identifiers
CAS Registry Number
1615-15-2
SMILES
Cc1nccn1CCO
InChI Key
JJWKKSUCSNDHNJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3
Names and Synonyms
- 2-Methyl-1H-Imidazole-1-Ethanol Systematic Name
- 1H-Imidazole-1-ethanol, 2-methyl- Synonym
- Imidazole-1-ethanol, 2-methyl- Synonym
- 2-Methyl-1H-imidazole-1-ethanol Synonym
- 1-(β-Hydroxyethyl)-2-methylimidazole Synonym
- 1-(2-Hydroxyethyl)-2-methylimidazole Synonym
- 1-(2′-Hydroxyethyl)-2-methylimidazole Synonym
- 2-(2-Methyl-1H-imidazol-1-yl)ethanol Synonym
- 2-Methyl-1-(2-hydroxyethyl)imidazole Synonym
- 2-(2-Methyl-1H-imidazol-1-yl)ethan-1-ol Synonym
- 2-(2-Methylimidazol-1-yl)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.16 g/mol | CAS Common Chemistry |
| 126.15899999999999 g/mol | RDKit | |
| 126.159 g/mol | RDKit | |
| Canonical SMILES | OCCN1C=CN=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JJWKKSUCSNDHNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63-65 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | 2-Methyl-1H-imidazole-1-ethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| 35.6 Ų | chempirical lib | |
| LogP | 0.18381999999999993 | RDKit |
| 0.1838 | RDKit | |
| Molar Refractivity | 34.04979999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 126.07931294 g/mol | RDKit |
| Boiling Point | 130-133 °C @ 0.15-0.25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 126.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10N2O.
