7-(2-Chloro ethyl)-8-Benzyl Theophylline (CAS 81781-90-0) — formula C16H17ClN4O2, molecular weight 332.78; category organic chemicals.
| CAS Number | 81781-90-0 |
|---|---|
| Molecular Formula | C16H17ClN4O2 |
| Molecular Weight | 332.78 |
| LogP | 2.1 |
| Category | Organic Chemicals |
7-(2-Chloro ethyl)-8-Benzyl Theophylline is a carbon-based organic compound with CAS registry number 81781-90-0 and molecular formula C16H17ClN4O2 (molecular weight 332.78), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81781-90-0
Its molecular formula C16H17ClN4O2 comprises 16 C, 17 H, 1 Cl, 4 N, 2 O atoms.
Also known as: 7-(2-Chloro ethyl)-8-Benzyl Theophylline · 茶碱杂质6
Category: organic chemicals
The CAS registry number of 7-(2-Chloro ethyl)-8-Benzyl Theophylline is 81781-90-0.
Molecular formula C16H17ClN4O2, molecular weight 332.78.
It is also registered under: 7-(2-Chloro ethyl)-8-Benzyl Theophylline, 茶碱杂质6.
Category: Organic Chemicals.
Independent reference data for 7-(2-Chloro ethyl)-8-Benzyl Theophylline (CAS 81781-90-0), compiled from public chemistry databases.
| CAS 号 | 81781-90-0 |
|---|---|
| PubChem CID | 157994 |
| 分子式 | C16H17ClN4O2 |
| IUPAC 名称 | 8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione |
| Molecular Weight | 332.78 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 332.1040035 |
| Monoisotopic Mass | 332.1040035 |
| Topological Polar Surface Area | 58.4 |
| Heavy Atom Count | 23 |
7-Chloroethyl-8-benzyltheophylline; 81781-90-0; 8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione; 7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione; SCHEMBL8373802; DTXSID20231359; 1H-Purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-; 8-Benzyl-7-(2-chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 8-benzyl-7-(2-chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
茶碱杂质6 · CAS 81781-90-0 · C16H17ClN4O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 茶碱杂质6