82495-70-3
| Name | (S)-(-)-N-[1-(HYDROXYMETHYL)-2-PHENYLETHYL]-4-METHYLBENZENESULFONAMIDE |
| CAS | 82495-70-3 |
| Molecular Formula | C16H19NO3S |
| MDL Number | MFCD00799551 |
| Molecular Weight | 305.39 |
| MOL File | 82495-70-3.mol |
Chemical Properties
| Melting point | 63-67 °C(lit.) |
| Boiling point | 502.3±60.0 °C(Predicted) |
| density | 1.231±0.06 g/cm3(Predicted) |
| pka | 10.95±0.50(Predicted) |
| Optical Rotation | [α]22/D 19°, c = 1 in chloroform |
| InChI | 1S/C16H19NO3S/c1-13-7-9-16(10-8-13)21(19,20)17-15(12-18)11-14-5-3-2-4-6-14/h2-10,15,17-18H,11-12H2,1H3/t15-/m0/s1 |
| InChIKey | QSUGRMCPSKTJTP-HNNXBMFYSA-N |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N[C@H](CO)Cc2ccccc2 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 2935900090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |