1,7-dimethylxanthine (CAS 611-59-6) — formula C7H8N4O2, molecular weight 180.16; category organic chemicals.
1,7-dimethylxanthine (CAS 611-59-6) is a chemical raw material in the organic chemicals category. Its molecular formula C7H8N4O2 comprises 7 C, 8 H, 4 N, 2 O atoms. Its molecular weight is about 180.16. Reported physicochemical data: melting point around 351 - 352 °C, LogP about -0.2. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 611-59-6 |
|---|---|
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.16 |
| Melting Point | 351 - 352 °C |
| LogP | -0.2 |
| Applications | Pharmaceuticals |
| Category | Organic Chemicals |
Documented applications: Pharmaceuticals.
1,7-dimethylxanthine is a carbon-based organic compound with CAS registry number 611-59-6 and molecular formula C7H8N4O2 (molecular weight 180.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 611-59-6
Its molecular formula C7H8N4O2 comprises 7 C, 8 H, 4 N, 2 O atoms.
Also known as: 1,7-dimethylxanthine · 1,7-二甲基黄嘌呤
Category: organic chemicals
The CAS registry number of 1,7-dimethylxanthine is 611-59-6.
Molecular formula C7H8N4O2, molecular weight 180.16.
It is also registered under: 1,7-dimethylxanthine, 1,7-二甲基黄嘌呤.
Recorded applications: Pharmaceuticals.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 1,7-dimethylxanthine (CAS 611-59-6), compiled from public chemistry databases.
| 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 |
| 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]+ |
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
| 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]
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]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,7-二甲基黄嘌呤