Doxofylline Impurity 4
- Product NameDoxofylline Impurity 4
- CAS2095554-12-2
- MFC11H16N4O5
- MW284.27
- EINECS
- MOL File2095554-12-2.mol
Chemical Properties
| Boiling point | 628.3±55.0 °C(Predicted) |
| Density | 1.52±0.1 g/cm3(Predicted) |
| pka | 2.03±0.50(Predicted) |
| InChI | InChI=1S/C11H16N4O5/c1-12-11(18)14(2)9-8(10(16)17)15(6-13-9)5-7-19-3-4-20-7/h6-7H,3-5H2,1-2H3,(H,12,18)(H,16,17) |
| InChIKey | KWPXOXGXVAHIAT-UHFFFAOYSA-N |
| SMILES | C1N(CC2OCCO2)C(C(O)=O)=C(N(C)C(NC)=O)N=1 |