8-Benzyltheophylline (CAS 2879-15-4) — formula C14H14N4O2, molecular weight 270.29; category organic chemicals.
| CAS Number | 2879-15-4 |
|---|---|
| Molecular Formula | C14H14N4O2 |
| Molecular Weight | 270.29 |
| LogP | 2.5 |
| Category | Organic Chemicals |
8-Benzyltheophylline is a carbon-based organic compound with CAS registry number 2879-15-4 and molecular formula C14H14N4O2 (molecular weight 270.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2879-15-4
Its molecular formula C14H14N4O2 comprises 14 C, 14 H, 4 N, 2 O atoms.
Also known as: 8-Benzyltheophylline · 8-苄基茶碱
Category: organic chemicals
The CAS registry number of 8-Benzyltheophylline is 2879-15-4.
Molecular formula C14H14N4O2, molecular weight 270.29.
It is also registered under: 8-Benzyltheophylline, 8-苄基茶碱.
Category: Organic Chemicals.
Independent reference data for 8-Benzyltheophylline (CAS 2879-15-4), compiled from public chemistry databases.
| CAS Registry Number | 2879-15-4 |
|---|---|
| PubChem CID | 73001 |
| Molecular formula | C14H14N4O2 |
| IUPAC name | 8-benzyl-1,3-dimethyl-7H-purine-2,6-dione |
| UNII (FDA) | NS00020787 |
| Molecular Weight | 270.29 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 270.11167570 |
| Monoisotopic Mass | 270.11167570 |
| Topological Polar Surface Area | 69.3 |
| Heavy Atom Count | 20 |
8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; RefChem:547641; 220-725-8; 8-Benzyltheophylline; 2879-15-4; Theophylline, 8-benzyl-; 8-benzyl-1,3-dimethyl-7H-purine-2,6-dione; 8-Benzyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; MFCD00067027; 8-benzyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-; CHEMBL105861; 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-(phenylmethyl)-; 8-benzyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; EINECS 220-725-8; NSC 14131
| GHS notification summary | 16.7% (1 / 6) |
|---|
| GHS notification summary | 16.7% (1 / 6) |
|---|---|
| Reported hazard statements | H302 (83.3%) |
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
8-Benzyltheophylline · CAS 2879-15-4 · C14H14N4O2. UNII NS00020787.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 8-苄基茶碱