1,3,7-trimethylpurine-2,6-dione (CAS No. 95789-13-2) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
Organic Chemicals
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The CAS number of 1,3,7-trimethylpurine-2,6-dione is 95789-13-2.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Organic Chemicals.
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1,3,7-三甲基嘌呤-2,6-二酮 · CAS 95789-13-2 · C8H10N4O2. UNII 3G6A5W338E. Boiling Point: 178; Boiling Point: 178 °C (sublimes); Melting Point: 460 °F (NTP, 1992).
| CAS 号 | 95789-13-2 |
|---|---|
| PubChem CID | 2519 |
| 分子式 | C8H10N4O2 |
| IUPAC 名称 | 1,3,7-trimethylpurine-2,6-dione |
| UNII（FDA） | 3G6A5W338E |
| FEMA 编号 | 2224 |
| Molecular Weight | 194.19 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 194.08037557 |
| Monoisotopic Mass | 194.08037557 |
| Topological Polar Surface Area | 58.4 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Boiling Point | 178 |
|---|---|
| Boiling Point | 178 °C (sublimes) |
| Melting Point | 460 °F (NTP, 1992) |
| Melting Point | 235-237 |
| Melting Point | 236.2 °C |
| Melting Point | 238 °C |
| Melting Point | 235 °C |
| Solubility | 10 to 50 mg/mL at 73 °F (NTP, 1992) |
| Solubility | 2.17 |
| Solubility | In water, 2.16X10+4 mg/L at 25 °C |
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Caffeine for performance |
|---|---|
| GHS 通报统计 | 0.6% (13 / 2217) |
| GHS 通报统计 | 0.6% (13 / 2217) |
|---|---|
| 已通报的危害声明 | H302, H301, H332, H360 |
caffeine; 58-08-2; Guaranine; 1,3,7-Trimethylxanthine; Methyltheobromine; Theine; Thein; Cafeina; Caffein; Cafipel; Koffein; Mateina; Alert-pep; Coffeine; Anhydrous caffeine; Refresh'n
CAS 号 95789-13-2；分子式 C8H10N4O2；分子量 — g/mol。
caffeine, 58-08-2, Guaranine, 1,3,7-Trimethylxanthine, Methyltheobromine, Theine.
已记录的法规收录：EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents。
0.6% 的 GHS 通报认为不构成危害分类（13 / 2217）。
Boiling Point: 178; Boiling Point: 178 °C (sublimes); Melting Point: 460 °F (NTP, 1992); Melting Point: 235-237.
本页事实取自 PubChem（美国国家医学图书馆）与 Wikidata。批号相关的数据——含量、水分、粒度、包装、保质期——随批次 COA 出具，不在本页公布。
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