Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
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 분자 구조식](/img/chemical/178819860.png)
식별자 및 물리적 특성
| CAS No. | 371209-78-8 |
|---|---|
| 분자식 | C20H26N2O4 |
| 평균 분자량 | 358.4 g/mol |
| SMILES | CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccc(N(C)C)cc1 |
| InChIKey | UQPKUFIQGLBPFN-UHFFFAOYSA-N |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 59.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 26 |
| 형식 전하 | 0 |
| 복잡도 | 587 |
| 끓는 점 | 541.1±50.0 °C(Predicted) |
| 밀도 | 1.171±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 4.47±0.24(Predicted) |