8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione (CAS 4921-51-1) — formula C9H12N4O3, molecular weight 224.22; category organic chemicals.
| CAS Number | 4921-51-1 |
|---|---|
| Molecular Formula | C9H12N4O3 |
| Molecular Weight | 224.22 |
| LogP | -0.9 |
| Category | Organic Chemicals |
8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione is a carbon-based organic compound with CAS registry number 4921-51-1 and molecular formula C9H12N4O3 (molecular weight 224.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4921-51-1 — searchable in PubChem for physicochemical, safety and regulatory data.
Its molecular formula C9H12N4O3 comprises 9 C, 12 H, 4 N, 3 O atoms.
Also known as: 8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione · 8-(羟甲基)-1,3,7-三甲基-嘌呤-2,6-二酮
Category: organic chemicals
The CAS registry number of 8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione is 4921-51-1.
Molecular formula C9H12N4O3, molecular weight 224.22.
It is also registered under: 8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione, 8-(羟甲基)-1,3,7-三甲基-嘌呤-2,6-二酮.
Category: Organic Chemicals.
Independent reference data for 8-(hydroxymethyl)-1,3,7-trimethyl-purine-2,6-dione (CAS 4921-51-1), compiled from public chemistry databases.
| CAS 号 | 4921-51-1 |
|---|---|
| PubChem CID | 235295 |
| 分子式 | C9H12N4O3 |
| IUPAC 名称 | 8-(hydroxymethyl)-1,3,7-trimethylpurine-2,6-dione |
| UNII（FDA） | HMS2642K20 |
| Molecular Weight | 224.22 |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 224.09094026 |
| Monoisotopic Mass | 224.09094026 |
| Topological Polar Surface Area | 78.7 |
| Heavy Atom Count | 16 |
Caffeine, 8-(hydroxymethyl)-; 4921-51-1; 1H-Purine-2,6-dione, 3,7-dihydro-8-(hydroxymethyl)-1,3,7-trimethyl-; DTXSID60284283; RefChem:122665; DTXCID80235434; JHHAZAUOIYATAT-UHFFFAOYSA-N; 8-(Hydroxymethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; 8-(hydroxymethyl)-1,3,7-trimethylpurine-2,6-dione; NSC36528; 8-hydroxymethylcaffeine; Oprea1_477527; MLS001018632; CHEMBL1893808; SCHEMBL28061963; HMS2642K20
| 已通报的危害声明 | H302 (100%) |
|---|
8-(羟甲基)-1,3,7-三甲基-嘌呤-2,6-二酮 · CAS 4921-51-1 · C9H12N4O3. UNII HMS2642K20.
CAS 号 4921-51-1；分子式 C9H12N4O3；分子量 — g/mol。
Source: public chemistry databases (PubChem / Wikidata) and the cited literature. Batch-dependent values are issued on the accompanying COA.
Supplier: Jinan Shenghe Chemical Co., Ltd.