3-Methylxanthine (CAS 1076-22-8) — formula C6H6N4O2, molecular weight 166.14; category organic chemicals.
| CAS Number | 1076-22-8 |
|---|---|
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.14 |
| Melting Point | > 300 °C |
| LogP | -0.50 |
| Category | Organic Chemicals |
3-Methylxanthine is a carbon-based organic compound with CAS registry number 1076-22-8 and molecular formula C6H6N4O2 (molecular weight 166.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1076-22-8
Its molecular formula C6H6N4O2 comprises 6 C, 6 H, 4 N, 2 O atoms.
Also known as: 3-Methylxanthine · 3-甲基黄嘌呤
Category: organic chemicals
The CAS registry number of 3-Methylxanthine is 1076-22-8.
Molecular formula C6H6N4O2, molecular weight 166.14.
It is also registered under: 3-Methylxanthine, 3-甲基黄嘌呤.
Category: Organic Chemicals.
Independent reference data for 3-Methylxanthine (CAS 1076-22-8), compiled from public chemistry databases.
| CAS Registry Number | 1076-22-8 |
|---|---|
| PubChem CID | 70639 |
| Molecular formula | C6H6N4O2 |
| IUPAC name | 3-methyl-7H-purine-2,6-dione |
| UNII (FDA) | WS6X982OEC |
| Molecular Weight | 166.14 |
|---|---|
| XLogP3 | -0.7 |
| 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 |
| Melting Point | > 300 °C |
|---|---|
| LogP | -0.50 |
| LogP | -0.72 |
3-Methylxanthine; 1076-22-8; 3-methyl-7H-purine-2,6-dione; 3-methyl-3,7-dihydro-1H-purine-2,6-dione; 3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; WS6X982OEC; DTXSID90148107; NSC-515466; RefChem:94981; DTXCID8070598; CHEBI:62205; 214-058-1; 2,6-Dihydroxy-3-methylpurine; 3-Methyl-1H-purine-2,6(3H,7H)-dione; 3 MX; Xanthine, 3-methyl-
| Reported hazard statements | H302 (98.1%) |
|---|
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
3-Methylxanthine · CAS 1076-22-8 · C6H6N4O2. UNII WS6X982OEC. Melting Point: > 300 °C; LogP: -0.50; LogP: -0.72.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基黄嘌呤