(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-phenoxy-phenoxy)-2-pyrrolidinecarboxylic acid
- Product Name(2S,4S)-1-(tert-Butoxycarbonyl)-4-(4-phenoxy-phenoxy)-2-pyrrolidinecarboxylic acid
- CAS1217845-80-1
- CBNumberCB5842447
- MFC22H25NO6
- MW399.44
- MDL NumberMFCD08687137
- MOL FileMol file
Chemical Properties
| Boiling point | 552.119±50.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.251±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| form | solid |
| pka | 3.707±0.40(predicted) |
| InChI | 1S/C22H25NO6/c1-22(2,3)29-21(26)23-14-18(13-19(23)20(24)25)28-17-11-9-16(10-12-17)27-15-7-5-4-6-8-15/h4-12,18-19H,13-14H2,1-3H3,(H,24,25)/t18-,19-/m0/s1 |
| InChIKey | ZMGVAABUFOBWGJ-OALUTQOASA-N |
| SMILES | O=C(O)[C@H]1N(C(OC(C)(C)C)=O)C[C@@H](OC2=CC=C(OC3=CC=CC=C3)C=C2)C1 |
| UNSPSC Code | 12352106 |
Safety
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |