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Molecule
5,10-Dihydro-5,10-Dimethylphenazine
CAS: 15546-75-5 · C14H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15546-75-5
- Molecular Formula
- C14H14N2
- Molecular Mass
- 210.28 g/mol
Identifiers
CAS Registry Number
15546-75-5
SMILES
CN1c2ccccc2N(C)c2ccccc21
InChI Key
GVTGSIMRZRYNEI-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2/c1-15-11-7-3-5-9-13(11)16(2)14-10-6-4-8-12(14)15/h3-10H,1-2H3
Names and Synonyms
- 5,10-Dihydro-5,10-Dimethylphenazine Synonym
- Phenazine, 5,10-dihydro-5,10-dimethyl- Synonym
- 5,10-Dihydro-5,10-dimethylphenazine Synonym
- 5,10-Dimethyl-5,10-dihydrophenazine Synonym
- N,N′-Dimethylphenazine Synonym
- DMPhen Synonym
- NSC 149969 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.28 g/mol | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)N(C=3C=CC=CC3N2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14N2/c1-15-11-7-3-5-9-13(11)16(2)14-10-6-4-8-12(14)15/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GVTGSIMRZRYNEI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152-153 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | 5,10-Dihydro-5,10-dimethylphenazine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 3.535800000000002 | RDKit |
| 3.5358 | RDKit | |
| Molar Refractivity | 69.01000000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 210.115698448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 210.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H14N2.
