D-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)
- Product NameD-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)
- CAS99016-42-9
- MFC14H25N3O4S?2.5H2O
- MW752.9384
- EINECS
- MOL File99016-42-9.mol
Chemical Properties
| Melting point | 132 - 137°C |
| storage temp. | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| solubility | DMSO, Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| Odor | at 100.00 %. odorless |
| Odor Type | odorless |
| Stability | Hygroscopic |
| Major Application | pharmaceutical (small molecule) |
| InChIKey | CAGRXIUPBXSNBW-FLBSXDLDSA-N |
| SMILES | S2C(C(C2(C)C)N[C@H](C)C(=O)NC(=O)[C@@H](N)CC(=O)O)(C)C.S1C(C(C1(C)C)N[C@H](C)C(=O)NC(=O)[C@@H](N)CC(=O)O)(C)C.O.O.O.O.O |
| LogP | 0.578 (est) |
Safety Information
| WGK Germany | WGK 3 |
| HS Code | 2934990002 |
| Storage Class | 11 - Combustible Solids |
| Hazardous Substances Data | 99016-42-9(Hazardous Substances Data) |
