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2-Ethyl-4-Methylimidazole
CAS: 931-36-2 | C6H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
931-36-2
Molecular Formula:
C6H10N2
Molecular Weight:
110.15999999999998 g/mol
Names and Synonyms:
2-Ethyl-4-Methylimidazole
1H-Imidazole, 2-ethyl-5-methyl-
Imidazole, 2-ethyl-4-methyl-
1H-Imidazole, 2-ethyl-4-methyl-
Imidazole, 2-ethyl-4(or 5)-methyl-
2-Ethyl-5-methyl-1H-imidazole
2-Ethyl-4-methylimidazole
4-Methyl-2-ethylimidazole
2-Ethyl-4-methyl-1H-imidazole
EMI 24
Curezol 2E4MZ
2E4MZ
Epicure EMI 24
EMI 70
Imicure EMI 24
NSC 82315
Omicure 24EMI
B 2 (curing catalyst)
B 2
JER Cure EMI 24
Dyhard MI-C
Curezol 2E4MZ2
Texnol EM 24
E 0232
Identifiers:
SMILES:
CCc1ncc(C)[nH]1
InChI:
InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
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 | 110.16 g/mol | Legacy Database |
| cas-boiling-point | 120-125 °C @ Press: 2 Torr None | Legacy Database |
| cas-canonical-smile | N=1C=C(NC1CC)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=ULKLGIFJWFIQFF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Ethyl-4-methylimidazole None | Legacy Database |
| LogP | 1.2805199999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.15999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 110.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 28.68 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.702699999999986 | RDKit |
