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Molecule
2-Methylimidazole
CAS: 693-98-1 · C4H6N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 693-98-1
- Molecular Formula
- C4H6N2
- Molecular Mass
- 82.11 g/mol
Identifiers
CAS Registry Number
693-98-1
SMILES
Cc1ncc[nH]1
InChI Key
LXBGSDVWAMZHDD-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
Names and Synonyms
- 2-Methylimidazole Systematic Name
- 2MZ-PW Synonym
- 2MZ-H Synonym
- 1H-Imidazole, 2-methyl- Synonym
- Imidazole, 2-methyl- Synonym
- 2-Methyl-1H-imidazole Synonym
- 2-Methylimidazole Synonym
- Curezol 2MZ Synonym
- 2MZ Synonym
- Denka CN 25 Synonym
- Actiron 2MI Synonym
- NSC 21394 Synonym
- 1H-2-Methylimidazole Synonym
- Curezol 2MZ-P Synonym
- Epicure MI 2 Synonym
- Epikure MI 2 Synonym
- Imicure AMI 2 Synonym
- Dyhard MI-FF Synonym
- 2MI Synonym
- Curezol 2MZ-H Synonym
- MI 2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.11 g/mol | CAS Common Chemistry |
| 82.106 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Methylimidazole | CAS Common Chemistry |
| Boiling Point | 267 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CNC1C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=LXBGSDVWAMZHDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C | CAS Common Chemistry |
| Name | 2-Methylimidazole | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 28.68 Ų | RDKit |
| LogP | 0.7181199999999999 | RDKit |
| 0.7181 | RDKit | |
| Molar Refractivity | 23.324699999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 82.053098192 g/mol | RDKit |
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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40
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 = 82.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6N2.
