928789-96-2
| Name | Sigamide |
| CAS | 928789-96-2 |
| Molecular Formula | C21H34N2O2 |
| MDL Number | MFCD10565635 |
| Molecular Weight | 346.51 |
| MOL File | 928789-96-2.mol |
Chemical Properties
| Melting point | 180-186 °C |
| Boiling point | 486.1±45.0 °C(Predicted) |
| density | 1.008±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | solid |
| pka | 13?+-.0.70(Predicted) |
| Optical Rotation | [α]22/D -170°, c = 1 in chloroform |
| InChI | 1S/C21H34N2O2/c1-14(2)18(23(9)13-24)19(25)22-17-11-15(20(3,4)5)10-16(12-17)21(6,7)8/h10-14,18H,1-9H3,(H,22,25)/t18-/m0/s1 |
| InChIKey | OVKNTNIBDGTNQY-SFHVURJKSA-N |
| SMILES | CC(C)[C@H](N(C)C=O)C(=O)Nc1cc(cc(c1)C(C)(C)C)C(C)(C)C |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |