1-N-HEXYLTHEOBROMINE (CAS 1028-33-7) — formula C13H20N4O2, molecular weight 264.32; category organic chemicals.
| CAS Number | 1028-33-7 |
|---|---|
| Molecular Formula | C13H20N4O2 |
| Molecular Weight | 264.32 |
| LogP | 1.2 |
| Category | Organic Chemicals |
1-N-HEXYLTHEOBROMINE is a carbon-based organic compound with CAS registry number 1028-33-7 and molecular formula C13H20N4O2 (molecular weight 264.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1028-33-7
Its molecular formula C13H20N4O2 comprises 13 C, 20 H, 4 N, 2 O atoms.
Also known as: 1-N-HEXYLTHEOBROMINE · 1-正-己基可可碱
Category: organic chemicals
The CAS registry number of 1-N-HEXYLTHEOBROMINE is 1028-33-7.
Molecular formula C13H20N4O2, molecular weight 264.32.
It is also registered under: 1-N-HEXYLTHEOBROMINE, 1-正-己基可可碱.
Category: Organic Chemicals.
Independent reference data for 1-N-HEXYLTHEOBROMINE (CAS 1028-33-7), compiled from public chemistry databases.
| CAS 号 | 1028-33-7 |
|---|---|
| PubChem CID | 70569 |
| 分子式 | C13H20N4O2 |
| IUPAC 名称 | 1-hexyl-3,7-dimethylpurine-2,6-dione |
| UNII（FDA） | MBM1C4K26S |
| Molecular Weight | 264.32 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 264.15862589 |
| Monoisotopic Mass | 264.15862589 |
| Topological Polar Surface Area | 58.4 |
| Heavy Atom Count | 19 |
| LogP | 1.2 |
|---|
Pentifylline; 1028-33-7; 1-Hexyltheobromine; Hexyltheobromine; 1-Hexyl-3,7-dimethylxanthine; Pentifilina; Pentifyllinum; DTXSID2057609; MBM1C4K26S; 1-hexyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; DTXCID0031398; pentifillina; pentiphylline; RefChem:171489; C04AD01; 213-842-0
| 已通报的危害声明 | H302 (80%), H315 (20%), H319 (20%), H335 (20%) |
|---|
1-正-己基可可碱 · CAS 1028-33-7 · C13H20N4O2. UNII MBM1C4K26S. LogP: 1.2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-正-己基可可碱