3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile (CAS 1811-38-7) — formula C10H11N5O2, molecular weight 233.23; category organic chemicals.
| CAS Number | 1811-38-7 |
|---|---|
| Molecular Formula | C10H11N5O2 |
| Molecular Weight | 233.23 |
| LogP | -0.8 |
| Category | Organic Chemicals |
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile is a carbon-based organic compound with CAS registry number 1811-38-7 and molecular formula C10H11N5O2 (molecular weight 233.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1811-38-7
Its molecular formula C10H11N5O2 comprises 10 C, 11 H, 5 N, 2 O atoms.
Also known as: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile · 7-(2-氰乙基)-茶碱
Category: organic chemicals
The CAS registry number of 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile is 1811-38-7.
Molecular formula C10H11N5O2, molecular weight 233.23.
It is also registered under: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile, 7-(2-氰乙基)-茶碱.
Category: Organic Chemicals.
Independent reference data for 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile (CAS 1811-38-7), compiled from public chemistry databases.
| CAS 号 | 1811-38-7 |
|---|---|
| PubChem CID | 351322 |
| 分子式 | C10H11N5O2 |
| IUPAC 名称 | 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile |
| UNII（FDA） | HMS5090E04 |
| Molecular Weight | 233.23 |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 233.09127461 |
| Monoisotopic Mass | 233.09127461 |
| Topological Polar Surface Area | 82.2 |
| Heavy Atom Count | 17 |
3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile; 7-Cyanoethyltheophylline; 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile; 7H-Purine-7-propanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-; 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile; Oprea1_698445; CHEMBL4520685; NIOSH/UO9076000; DTXSID50325871; KAVJVVVIFOIZKM-UHFFFAOYSA-N; HMS5090E04; NSC521012; STK523989; 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propanenitrile; AKOS001452750; 7-(2-Cyanoethyl)-theophylline, 98%
7-(2-氰乙基)-茶碱 · CAS 1811-38-7 · C10H11N5O2. UNII HMS5090E04.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 7-(2-氰乙基)-茶碱