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2-Methyl-1H-Imidazole-1-Ethanol
CAS: 1615-15-2 | C6H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1615-15-2
Molecular Formula:
C6H10N2O
Molecular Weight:
126.15899999999999 g/mol
Names and Synonyms:
2-Methyl-1H-Imidazole-1-Ethanol
2-Methyl-1-(2-hydroxyethyl)imidazole
1-(2′-Hydroxyethyl)-2-methylimidazole
2-Methyl-1H-imidazole-1-ethanol
2-(2-Methylimidazol-1-yl)ethanol
2-(2-Methyl-1H-imidazol-1-yl)ethan-1-ol
1-(β-Hydroxyethyl)-2-methylimidazole
Imidazole-1-ethanol, 2-methyl-
1H-Imidazole-1-ethanol, 2-methyl-
2-(2-Methyl-1H-imidazol-1-yl)ethanol
1-(2-Hydroxyethyl)-2-methylimidazole
Identifiers:
SMILES:
Cc1nccn1CCO
InChI:
InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 126.16 g/mol | Legacy Database |
| cas-boiling-point | 130-133 °C @ Press: 0.15-0.25 Torr None | Legacy Database |
| cas-canonical-smile | OCCN1C=CN=C1C None | Legacy Database |
| cas-inchi | InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JJWKKSUCSNDHNJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 63-65 °C @ Solvent: Ethyl acetate None | Legacy Database |
| cas-name | 2-Methyl-1H-imidazole-1-ethanol None | Legacy Database |
| LogP | 0.18381999999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 126.15899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 126.07931294 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.05 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.04979999999999 | RDKit |
