Caffeine hydrous (CAS 5743-12-4) — formula C8H10N4O2.H2O, molecular weight 212.21.
Caffeine hydrous is a chemical compound with CAS registry number 5743-12-4 and molecular formula C8H10N4O2.H2O (molecular weight 212.21).
CAS number: 5743-12-4
Its molecular formula C8H10N4O2.H2O comprises 8 C, 12 H, 4 N, 3 O atoms.
Also known as: Caffeine hydrous · Caffeine Hydrate
The CAS registry number of Caffeine hydrous is 5743-12-4.
Molecular formula C8H10N4O2.H2O, molecular weight 212.21.
It is also registered under: Caffeine hydrous, Caffeine Hydrate.
Public-database records for Caffeine hydrous (CAS 5743-12-4), reproduced here for independent cross-checking.
| CAS Registry Number | 5743-12-4 |
|---|---|
| PubChem CID | 64119 |
| 分子式 | C8H10N4O2.H2O |
| IUPAC 名称 | 1,3,7-trimethylpurine-2,6-dione;hydrate |
| UNII（FDA） | 9T65I06326 |
| Pharmacopoeial monograph | European Pharmacopoeia monograph |
Caffeine monohydrate; caffeine hydrate; 5743-12-4; CAFFEINE HYDRATE [JAN]; 9T65I06326; CHEBI:31332; CAFFEINE HYDRATE [MART.]; DTXSID50206015; UNII-9T65I06326; CAFFEINE MONOHYDRATE [WHO-DD]; CAFFEINE MONOHYDRATE [WHO-IP]; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione monohydrate; CAFFEINE MONOHYDRATE [EP MONOGRAPH]; CAFFEINE MONOHYDRATE [USP MONOGRAPH]; COFFEINUM MONOHYDRATE [WHO-IP LATIN]; 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate
| 分子量 | 212.21 |
|---|---|
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 0 |
| 精确质量 | 212.09094026 |
| 单同位素质量 | 212.09094026 |
| 拓扑极性表面积 | 59.4 |
| 重原子数 | 15 |
| 形式电荷 | 0 |
| 复杂度 | 293 |
Caffeine hydrous · CAS 5743-12-4 · C8H10N4O2.H2O. UNII 9T65I06326. European Pharmacopoeia monograph.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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