174291-97-5
| Name | (1S,2S)-(-)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE |
| CAS | 174291-97-5 |
| Molecular Formula | C13H20N2O2S |
| MDL Number | MFCD09265104 |
| Molecular Weight | 268.38 |
| MOL File | 174291-97-5.mol |
Chemical Properties
| Melting point | 106-110°C |
| Boiling point | 417.4±55.0 °C(Predicted) |
| density | 1.23±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C, protect from light, stored under nitrogen |
| form | solid |
| pka | 11.69±0.40(Predicted) |
| Appearance | White to off-white Solid |
| Optical Rotation | [α]/D +26.0 to 34.0°, c = 1 in chloroform |
| InChI | 1S/C13H20N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3/t12-,13-/m0/s1 |
| InChIKey | VVOFSHARRCJLLA-STQMWFEESA-N |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N[C@H]2CCCC[C@@H]2N |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |