1,1′-Trimethylenedi-theobromine
- Product Name1,1′-Trimethylenedi-theobromine
- CAS74857-22-0
- MFC17H20N8O4
- MW400.39
- EINECS
- MOL File74857-22-0.mol
Chemical Properties
| Melting point | 256 °C - 258 °C |
| Boiling point | 739.4±70.0 °C(Predicted) |
| Density | 1.58±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: soluble1mg/mL, clear (warmed) |
| pka | 0.79±0.70(Predicted) |
| form | powder |
| color | white to beige |
| InChI | InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3 |
| InChIKey | KEPIKAFUZRKZMT-UHFFFAOYSA-N |
| SMILES | C(N1C(=O)C2=C(N(C)C1=O)N=CN2C)CCN1C(=O)C2=C(N(C)C1=O)N=CN2C |
