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Molecule
2,3-Dimethylquinoxaline
CAS: 2379-55-7 · C10H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2379-55-7
- Molecular Formula
- C10H10N2
- Molecular Mass
- 158.20 g/mol
Identifiers
CAS Registry Number
2379-55-7
SMILES
Cc1nc2ccccc2nc1C
InChI Key
FKHNZQFCDGOQGV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3
Names and Synonyms
- 2,3-Dimethylquinoxaline Systematic Name
- Quinoxaline, 2,3-dimethyl- Synonym
- 2,3-Dimethylquinoxaline Synonym
- NSC 1789 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.20 g/mol | CAS Common Chemistry |
| 158.20399999999995 g/mol | RDKit | |
| 158.204 g/mol | RDKit | |
| Canonical SMILES | N=1C=2C=CC=CC2N=C(C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FKHNZQFCDGOQGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104-106 °C | CAS Common Chemistry |
| Name | 2,3-Dimethylquinoxaline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| 24.72 Ų | chempirical lib | |
| LogP | 2.24664 | RDKit |
| 2.2466 | RDKit | |
| Molar Refractivity | 49.01200000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 158.08439832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 158.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10N2.
