Theacrine (CAS 2309-49-1) — formula C9H12N4O3, molecular weight 224.22; category chemical.
Theacrine is a chemical compound with CAS registry number 2309-49-1 and molecular formula C9H12N4O3 (molecular weight 224.22), belonging to the chemical segment of chemical raw materials.
CAS number: 2309-49-1
Its molecular formula C9H12N4O3 comprises 9 C, 12 H, 4 N, 3 O atoms.
Also known as: Theacrine · Tetramethyluric acid
Category: chemical
The CAS registry number of Theacrine is 2309-49-1.
Molecular formula C9H12N4O3, molecular weight 224.22.
It is also registered under: Theacrine, Tetramethyluric acid.
Category: Main Products.
Public-database records for Theacrine (CAS 2309-49-1), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H315 (50%), H319 (50%), H335 (50%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
| 溶解度 | 25 mg/mL at 20 °C |
|---|
| CAS Registry Number | 2309-49-1 |
|---|---|
| PubChem CID | 75324 |
| 分子式 | C9H12N4O3 |
| IUPAC 名称 | 1,3,7,9-tetramethylpurine-2,6,8-trione |
| UNII（FDA） | EJ939L81MY |
Tetramethyluric acid; 2309-49-1; theacrine; 1,3,7,9-Tetramethyluric acid; Temurin; Temorine; 1,3,7,9-tetramethylpurine-2,6,8-trione; Ba 2750; TeaCrine; 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-; Uric acid, 1,3,7,9-tetramethyl-; EJ939L81MY; NSC-8809; tetramethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione; CHEBI:139388; DTXSID90177659
| 分子量 | 224.22 |
|---|---|
| XLogP3 | -0.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 0 |
| 精确质量 | 224.09094026 |
| 单同位素质量 | 224.09094026 |
| 拓扑极性表面积 | 64.2 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
Tetramethyluric acid · CAS 2309-49-1 · C9H12N4O3. UNII EJ939L81MY. 溶解度: 25 mg/mL at 20 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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