7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione
![7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione Structure](https://image.chemsrc.com/caspic/088/78960-48-2.png)
7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione structure
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Common Name | 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione | ||
|---|---|---|---|---|
| CAS Number | 78960-48-2 | Molecular Weight | 433.45800 | |
| Density | 1.4g/cm3 | Boiling Point | 695.6ºC at 760 mmHg | |
| Molecular Formula | C20H27N5O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 374.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4g/cm3 |
|---|---|
| Boiling Point | 695.6ºC at 760 mmHg |
| Molecular Formula | C20H27N5O6 |
| Molecular Weight | 433.45800 |
| Flash Point | 374.5ºC |
| Exact Mass | 433.19600 |
| PSA | 136.00000 |
| Index of Refraction | 1.633 |
| InChIKey | MQKRCGCZLXHDSH-UHFFFAOYSA-N |
| SMILES | COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(O)CO)cc1OC |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~69%
7-(2,3-dihydrox... CAS#:78960-48-2 |
| Literature: Kremzer, A. A.; Strokin, Yu. V.; Samura, B. A.; Steblyuk, P. N. Pharmaceutical Chemistry Journal, 1981 , vol. 15, # 6 p. 407 - 411 Khimiko-Farmatsevticheskii Zhurnal, 1981 , vol. 15, # 6 p. 59 - 64 |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Theophylline,7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino) |
| 7-(2,3-Dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)theophylline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione? |
| A: Molecular weight of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione is 433.45800. |
| Q: What is the InChIKey of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione? |
| A: InChIKey of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione is MQKRCGCZLXHDSH-UHFFFAOYSA-N. |
| Q: What is the English name of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione? |
| A: The English name of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione is 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione. |
| Q: What is the boiling point of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione? |
| A: Boiling point of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione is 695.6ºC at 760 mmHg. |
| Q: What is the Chinese name of 78960-48-2? |
| A: Chinese name of 78960-48-2 is 78960-48-2. |
| Q: What is the molecular formula of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione? |
| A: Molecular formula of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione is C20H27N5O6. |
| Q: What is the polar surface area (PSA) of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione? |
| A: Polar surface area (PSA) of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione is 136.00000. |
| Q: What is the SMILES notation of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione? |
| A: SMILES notation of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione is COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(O)CO)cc1OC. |
| Q: What is the CAS number of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione? |
| A: CAS number of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione is 78960-48-2. |
| Q: What English synonyms does 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione have? |
| A: English synonyms of 7-(2,3-dihydroxypropyl)-8-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-dimethylpurine-2,6-dione: Theophylline,7-(2,3-dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino), 7-(2,3-Dihydroxypropyl)-8-(3,4-dimethoxyphenethylamino)theophylline. |