890090-63-8
| Name | (E)-2-(4-BOC-PIPERAZIN-1-YL)-4-CYCLOHEXYL-3-BUTENOIC ACID |
| CAS | 890090-63-8 |
| Molecular Formula | C19H32N2O4 |
| MDL Number | MFCD07369783 |
| Molecular Weight | 352.48 |
| MOL File | 890090-63-8.mol |
Chemical Properties
| Melting point | 166-170 °C(lit.) |
| Boiling point | 482.3±45.0 °C(Predicted) |
| density | 1.162±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 2.13±0.10(Predicted) |
| InChI | 1S/C19H32N2O4/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,22,23)/b10-9+ |
| InChIKey | ALAMTNODLVYHHG-MDZDMXLPSA-N |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(\C=C\C2CCCCC2)C(O)=O |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |