2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate (CAS 13425-39-3) — formula C15H15N5O4, molecular weight 329.31; category organic chemicals.
| CAS Number | 13425-39-3 |
|---|---|
| Molecular Formula | C15H15N5O4 |
| Molecular Weight | 329.31 |
| LogP | 0 |
| Category | Organic Chemicals |
2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate is a carbon-based organic compound with CAS registry number 13425-39-3 and molecular formula C15H15N5O4 (molecular weight 329.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13425-39-3
Its molecular formula C15H15N5O4 comprises 15 C, 15 H, 5 N, 4 O atoms.
Also known as: 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate · 2-(1,2,3,6-四氢-1,3-二甲基-2,6-二氧代-7h-嘌呤-7-基)烟酸乙酯
Category: organic chemicals
The CAS registry number of 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate is 13425-39-3.
Molecular formula C15H15N5O4, molecular weight 329.31.
It is also registered under: 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate, 2-(1,2,3,6-四氢-1,3-二甲基-2,6-二氧代-7h-嘌呤-7-基)烟酸乙酯.
Category: Organic Chemicals.
Independent reference data for 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate (CAS 13425-39-3), compiled from public chemistry databases.
| CAS 号 | 13425-39-3 |
|---|---|
| PubChem CID | 83435 |
| 分子式 | C15H15N5O4 |
| IUPAC 名称 | 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate |
| UNII（FDA） | SN6D1V68DL |
| Molecular Weight | 329.31 |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 329.11240398 |
| Monoisotopic Mass | 329.11240398 |
| Topological Polar Surface Area | 97.6 |
| Heavy Atom Count | 24 |
Etofylline nicotinate; 13425-39-3; SN6D1V68DL; DTXSID30158609; RefChem:1068692; DTXCID3081100; 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl pyridine-3-carboxylate; 3-Pyridinecarboxylic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester; 236-544-2; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate; 2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate; UNII-SN6D1V68DL; EINECS 236-544-2; SCHEMBL1649975; CHEMBL3707239; CHEBI:135405
| 已通报的危害声明 | H315 (100%), H319 (100%), H400 (100%), H410 (100%) |
|---|
2-(1,2,3,6-四氢-1,3-二甲基-2,6-二氧代-7h-嘌呤-7-基)烟酸乙酯 · CAS 13425-39-3 · C15H15N5O4. UNII SN6D1V68DL.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.