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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
Names and Synonyms:
2-Methyl-1H-Imidazole-1-Ethanol
1H-Imidazole-1-ethanol, 2-methyl-
Imidazole-1-ethanol, 2-methyl-
2-Methyl-1H-imidazole-1-ethanol
1-(β-Hydroxyethyl)-2-methylimidazole
1-(2-Hydroxyethyl)-2-methylimidazole
1-(2′-Hydroxyethyl)-2-methylimidazole
2-(2-Methyl-1H-imidazol-1-yl)ethanol
2-Methyl-1-(2-hydroxyethyl)imidazole
2-(2-Methyl-1H-imidazol-1-yl)ethan-1-ol
2-(2-Methylimidazol-1-yl)ethanol
Identifiers:
SMILES:
Cc1nccn1CCO
InChI:
InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3
Key Properties
Boiling Point
130-133 °C @ Press: 0.15-0.25 Torr
CAS Common Chemistry
Melting Point
63-65 °C @ Solvent: Ethyl acetate
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.16 g/mol | CAS Common Chemistry |
| 126.15899999999999 g/mol | RDKit | |
| 126.07931294 g/mol | RDKit | |
| Boiling Point | 130-133 °C @ Press: 0.15-0.25 Torr | CAS Common Chemistry |
| 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 |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 0.18381999999999993 | RDKit |
| Molar Refractivity | 34.04979999999999 | RDKit |
