8-AZAXANTHIN
- Product Name8-AZAXANTHIN
- CAS1468-26-4
- MFC4H3N5O2
- MW153.1
- EINECS215-992-2
- MOL File1468-26-4.mol
Chemical Properties
| Melting point | >230°C |
| Boiling point | 275.98°C (rough estimate) |
| Density | 1.6725 (rough estimate) |
| refractive index | 1.8000 (estimate) |
| pka | 6.44±0.20(Predicted) |
| form | solid |
| BRN | 10424 |
| InChI | 1S/C4H3N5O2.H2O/c10-3-1-2(8-9-7-1)5-4(11)6-3;/h(H3,5,6,7,8,9,10,11);1H2 |
| InChIKey | VKEGPGRANAWNIN-UHFFFAOYSA-N |
| SMILES | O.O=C1NC(=O)c2[nH]nnc2N1 |
| LogP | -1.440 (est) |
| CAS DataBase Reference | 1468-26-4(CAS DataBase Reference) |
Safety Information
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| RTECS | XZ5950000 |
| F | 10-23 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | LD50 intraperitoneal in mouse: 200mg/kg |
