1,7-dimethylxanthine (CAS No. 611-59-6) 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 1,7-dimethylxanthine is 611-59-6.
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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1,7-dimethylxanthine · CAS 611-59-6 · C7H8N4O2. UNII Q3565Y41V7. Melting Point: 351 - 352 °C; Collision Cross Section: 139 Ų [M+H]+; Collision Cross Section: 149.4 Ų [M+Na]+.
| CAS Registry Number | 611-59-6 |
|---|---|
| PubChem CID | 4687 |
| Molecular formula | C7H8N4O2 |
| IUPAC name | 1,7-dimethyl-3H-purine-2,6-dione |
| UNII (FDA) | Q3565Y41V7 |
| Molecular Weight | 180.16 |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 180.06472551 |
| Monoisotopic Mass | 180.06472551 |
| Topological Polar Surface Area | 67.2 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Melting Point | 351 - 352 °C |
|---|---|
| Collision Cross Section | 139 Ų [M+H]+ |
| Collision Cross Section | 149.4 Ų [M+Na]+ |
| Collision Cross Section | 134.5 Ų [M+H]+ |
| GHS notification summary | 6.7% (3 / 45) |
|---|
| GHS notification summary | 6.7% (3 / 45) |
|---|---|
| Reported hazard statements | H302 (93.3%) |
This chemical does not meet GHS hazard criteria for 6.7% (3 of 45) of reports.
H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]
paraxanthine; 1,7-Dimethylxanthine; 611-59-6; p-Xanthine; 1,7-dimethyl-3H-purine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-; DTXSID2052281; 1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; NSC-400018; Q3565Y41V7; DTXCID2030853; CHEBI:25858; RefChem:417792; 210-271-9; 1,7-Dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 611-59-6; molecular formula C7H8N4O2; molecular weight — g/mol.
paraxanthine, 1,7-Dimethylxanthine, 611-59-6, p-Xanthine, 1,7-dimethyl-3H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-.
6.7% of GHS notifications report no hazard classification (3 of 45).
Melting Point: 351 - 352 °C; Collision Cross Section: 139 Ų [M+H]+; Collision Cross Section: 149.4 Ų [M+Na]+; Collision Cross Section: 134.5 Ų [M+H]+.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.