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Molecule
2-Ethyl-4-Methylimidazole
CAS: 931-36-2 · C6H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 931-36-2
- Molecular Formula
- C6H10N2
- Molecular Mass
- 110.16 g/mol
Identifiers
CAS Registry Number
931-36-2
SMILES
CCc1ncc(C)[nH]1
InChI Key
ULKLGIFJWFIQFF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
Names and Synonyms
- 2-Ethyl-4-Methylimidazole Synonym
- 1H-Imidazole, 2-ethyl-5-methyl- Synonym
- Imidazole, 2-ethyl-4-methyl- Synonym
- 1H-Imidazole, 2-ethyl-4-methyl- Synonym
- Imidazole, 2-ethyl-4(or 5)-methyl- Synonym
- 2-Ethyl-5-methyl-1H-imidazole Synonym
- 2-Ethyl-4-methylimidazole Synonym
- 4-Methyl-2-ethylimidazole Synonym
- 2-Ethyl-4-methyl-1H-imidazole Synonym
- EMI 24 Synonym
- Curezol 2E4MZ Synonym
- 2E4MZ Synonym
- Epicure EMI 24 Synonym
- EMI 70 Synonym
- Imicure EMI 24 Synonym
- NSC 82315 Synonym
- Omicure 24EMI Synonym
- B 2 (curing catalyst) Synonym
- B 2 Synonym
- JER Cure EMI 24 Synonym
- Dyhard MI-C Synonym
- Curezol 2E4MZ2 Synonym
- Texnol EM 24 Synonym
- E 0232 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.16 g/mol | CAS Common Chemistry |
| 110.15999999999998 g/mol | RDKit | |
| Canonical SMILES | N=1C=C(NC1CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=ULKLGIFJWFIQFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethyl-4-methylimidazole | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 28.68 Ų | RDKit |
| LogP | 1.2805199999999999 | RDKit |
| 1.2805 | RDKit | |
| Molar Refractivity | 32.702699999999986 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 110.08439831999999 g/mol | RDKit |
| Boiling Point | 120-125 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 110.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10N2.
