| 中文别名 | 可可碱(MSDS,83-67-0结构式,分子量,溶解度) |
| 英文别名 | Theobromine();Theobromine |
| CAS号 | 83-67-0 |
| SMILES | Cn1cnc2c1c(=O)[nH]c(=O)n2C |
| Inchi | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) |
| InchiKey | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
| 分子式 Formula | C7H8N4O2 |
| 分子量 Molecular Weight | 180.16 |
| 熔点 Melting point | 290-295℃ |
| Polarizability极化度 | 17.9±0.5 10-24cm3 |
| 密度 Density | 1.6±0.1 g/cm3 |
| 储藏条件 Storage conditions | Store at 4℃,-4℃下存储更优 |
