Nicotinamide-N-oxide
- Product NameNicotinamide-N-oxide
- CAS1986-81-8
- MFC6H6N2O2
- MW138.12
- EINECS217-859-4
- MOL File1986-81-8.mol
Chemical Properties
| Melting point | 291-293 °C (dec.)(lit.) |
| Boiling point | 253.51°C (rough estimate) |
| Density | 1.3471 (rough estimate) |
| refractive index | 1.5100 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 14.38±0.50(Predicted) |
| color | White to Off-White |
| Sensitive | Hygroscopic |
| Major Application | pharmaceutical small molecule |
| InChI | 1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9) |
| InChIKey | USSFUVKEHXDAPM-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccc[n+]([O-])c1 |
| CAS DataBase Reference | 1986-81-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
