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
- CBNumberCB9307766
- MFC13H17N3O
- MW231.29
- EINECS213-819-5
- MDL NumberMFCD00005977
- MOL File1021-25-6.mol
- MSDS FileSDS
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
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P271-P280 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| F | 10 |
| HS Code | 29339980 |