
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 105102-21-4 |
| Catalog No. | 2A-9012783 |
| Chinese Name | 托巴茶碱 |
| Synonyms | Torbafyllinum; UNII-65O78F9T1W; Torbafylline; Torbafilina |
| Molecular Formula | C16H26N4O4 |
| Molecular Weight | 338.41 |
| Purity | 98.00 |
| Density | 1.25g/cm3 |
| Boiling Point | 534.7ºC at 760mmHg |
| MDL Number | C16H26N4O4 |
| SMILES | CCOCn1cnc2c1c(=O)n(CCCCC(C)(C)O)c(=O)n2C |
| InChI | InChI=1S/C16H26N4O4/c1-5-24-11-19-10-17-13-12(19)14(21)20(15(22)18(13)4)9-7-6-8-16(2,3)23/h10,23H,5-9,11H2,1-4H3 |
| InChI Key | QSXXLDDWVCEBFP-UHFFFAOYSA-N |
| MSDS | msds/12783_1_105102_21_4.pdf |
| Transport Info | Product Name: Tobaphylline |
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