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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
Names and Synonyms:
2-Methylimidazole
2MZ-PW
2MZ-H
1H-Imidazole, 2-methyl-
Imidazole, 2-methyl-
2-Methyl-1H-imidazole
2-Methylimidazole
Curezol 2MZ
2MZ
Denka CN 25
Actiron 2MI
NSC 21394
1H-2-Methylimidazole
Curezol 2MZ-P
Epicure MI 2
Epikure MI 2
Imicure AMI 2
Dyhard MI-FF
2MI
Curezol 2MZ-H
MI 2
Identifiers:
SMILES:
Cc1ncc[nH]1
InChI:
InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
Key Properties
Boiling Point
267 °C
CAS Common Chemistry
Melting Point
144 °C
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 | 82.11 g/mol | CAS Common Chemistry |
| 82.106 g/mol | RDKit | |
| 82.053098192 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 |
| Molar Refractivity | 23.324699999999993 | RDKit |
