Tofacitinib Impurity 6
- Product NameTofacitinib Impurity 6
- CAS1640972-35-5
- MFC16H22N6O
- MW314.39
- EINECS
- MOL File1640972-35-5.mol
Chemical Properties
| Melting point | >80°C (dec.) |
| Boiling point | 583.2±50.0 °C(Predicted) |
| Density | 1.239±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 6.04±0.60(Predicted) |
| form | Solid |
| color | Pale Yellow to Yellow |
| InChI | InChI=1S/C16H22N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h10-11,13H,3-5,7-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 |
| InChIKey | PEURVXMHTIUQCG-YPMHNXCESA-N |
| SMILES | N([C@@H]1[C@@H](CCN(C1)C(=O)CC#N)C)(C1N=CN=C2NCCC=12)C |
