1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE
- Product Name1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE
- CAS1021-25-6
- MFC13H17N3O
- MW231.29
- EINECS213-819-5
- MOL File1021-25-6.mol
Chemical Properties
| Melting point | 188-191 °C |
| Boiling point | 373.38°C (rough estimate) |
| Density | 1.0744 (rough estimate) |
| refractive index | 1.5700 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 15.08±0.20(Predicted) |
| form | Solid |
| color | White to Pale Beige |
| InChI | InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17) |
| InChIKey | HTQWGIHCFPWKAS-UHFFFAOYSA-N |
| SMILES | N1(C2=CC=CC=C2)C2(CCNCC2)C(=O)NC1 |
| CAS DataBase Reference | 1021-25-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| F | 10 |
| HS Code | 29339980 |