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Ethyl 4-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate
ethyl 4-[4-(dimethylamino)benzylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate · ethyl (4Z)-4-[4-(dimethylamino)benzylidene]-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate · 1H-Pyrrole-3-carboxylic acid, 4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-1-(2-methoxyethyl)-2-methyl-5-oxo-, ethyl ester
![Ethyl 4-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate の分子構造式](/img/chemical/178819860.png)
識別子と物理属性
| CAS No. | 371209-78-8 |
|---|---|
| 分子式 | C20H26N2O4 |
| 平均分子量 | 358.4 g/mol |
| SMILES | CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccc(N(C)C)cc1 |
| InChIKey | UQPKUFIQGLBPFN-UHFFFAOYSA-N |
化学・物理的性質
| XLogP | 2.2 |
|---|---|
| 極性表面積 | 59.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 8 |
| 重原子数 | 26 |
| 形式電荷 | 0 |
| 複雑度 | 587 |
| 沸点 | 541.1±50.0 °C(Predicted) |
| 密度 | 1.171±0.06 g/cm3(Predicted) |
| pKa（酸解離定数） | 4.47±0.24(Predicted) |