221142-28-5
| Name | 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID |
| CAS | 221142-28-5 |
| Molecular Formula | C16H21NO4 |
| MDL Number | MFCD02089475 |
| Molecular Weight | 291.34 |
| MOL File | 221142-28-5.mol |
Chemical Properties
| Boiling point | 441.471±45.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.197±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | 2-8°C |
| form | solid |
| pka | 4.313±0.40(predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1/C16H21NO4/c1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/s3 |
| InChIKey | KEWYECRQALNJJM-JNEKIBDFNA-N |
| SMILES | N1(C(OC(C)(C)C)=O)C[C@H](C2=CC=CC=C2)[C@@H](C(O)=O)C1 |&1:9,16,r| |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P261-P280-P305+P351+P338-P304+P340-P405 |
| WGK Germany | WGK 3 |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 |