253426-70-9
| Name | N</I>-BOC-ALPHA-(PHENYLSULFONYL)CYCLOHEXYLMETHYLAMINE, 97% |
| CAS | 253426-70-9 |
| Molecular Formula | C18H27NO4S |
| MDL Number | MFCD08705297 |
| Molecular Weight | 353.48 |
| MOL File | 253426-70-9.mol |
Chemical Properties
| Melting point | 153-157 °C |
| Boiling point | 521.224±42.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.153±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| form | solid |
| pka | 10.143±0.46(predicted) |
| InChI | 1S/C18H27NO4S/c1-18(2,3)23-17(20)19-16(14-10-6-4-7-11-14)24(21,22)15-12-8-5-9-13-15/h5,8-9,12-14,16H,4,6-7,10-11H2,1-3H3,(H,19,20) |
| InChIKey | CHWYBOVSGSJNFE-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)NC(C1CCCCC1)S(=O)(=O)c2ccccc2 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 2930909099 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 |