1-methylxanthine (CAS 6136-37-4) — formula C6H6N4O2, molecular weight 166.14; category organic chemicals.
1-methylxanthine (CAS 6136-37-4) is a organic chemicals. Its molecular formula C6H6N4O2 comprises 6 C, 6 H, 4 N, 2 O atoms. Its molecular weight is about 166.14. Reported physicochemical data: LogP about -0.27. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. 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 | 6136-37-4 |
|---|---|
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.14 |
| LogP | -0.27 |
| Applications | Caffeine metabolite found in urine |
| Category | Organic Chemicals |
Documented applications: Caffeine metabolite found in urine.
1-methylxanthine is a carbon-based organic compound with CAS registry number 6136-37-4 and molecular formula C6H6N4O2 (molecular weight 166.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6136-37-4
Its molecular formula C6H6N4O2 comprises 6 C, 6 H, 4 N, 2 O atoms.
Also known as: 1-methylxanthine · 1-甲基黄嘌呤
Category: organic chemicals
The CAS registry number of 1-methylxanthine is 6136-37-4.
Molecular formula C6H6N4O2, molecular weight 166.14.
It is also registered under: 1-methylxanthine, 1-甲基黄嘌呤.
Recorded applications: Caffeine metabolite found in urine.
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-methylxanthine (CAS 6136-37-4), compiled from public chemistry databases.
| CAS Registry Number | 6136-37-4 |
|---|---|
| PubChem CID | 80220 |
| Molecular formula | C6H6N4O2 |
| IUPAC name | 1-methyl-3,7-dihydropurine-2,6-dione |
| UNII (FDA) | 7EE8WCA32U |
| Molecular Weight | 166.14 |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 166.04907545 |
| Monoisotopic Mass | 166.04907545 |
| Topological Polar Surface Area | 78.1 |
| Heavy Atom Count | 12 |
| LogP | -0.27 |
|---|
1-Methylxanthine; 6136-37-4; Xanthine, 1-methyl-; 1-methyl-3,7-dihydropurine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-; 7EE8WCA32U; 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; DTXSID30210271; RefChem:907715; CHEBI:68443; DTXCID30132762; 228-108-5; 1-Methyl-1H-purine-2,6(3H,7H)-dione; 1-Methyl-3,7-dihydro-purine-2,6-dione; 1-methyl xanthine; Theophylline Impurity 2
| Reported hazard statements | H302 (33.3%), H315 (66.7%), H319 (66.7%), H335 (66.7%) |
|---|
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
1-methylxanthine · CAS 6136-37-4 · C6H6N4O2. UNII 7EE8WCA32U. LogP: -0.27.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-甲基黄嘌呤