5-(4-aminophenyl)-1-methylpyrrole-2-carbonitrile
更新时间：2025-08-25 01:56:24
5-(4-aminophenyl)-1-methylpyrrole-2-carbonitrile结构式
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常用名 | 5-(4-aminophenyl)-1-methylpyrrole-2-carbonitrile | 英文名 | 5-(4-aminophenyl)-1-methylpyrrole-2-carbonitrile |
|---|---|---|---|---|
| CAS号 | 921631-37-0 | 分子量 | 197.23600 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C12H11N3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 英文名 | 5-(4-aminophenyl)-1-methylpyrrole-2-carbonitrile |
|---|
| 分子式 | C12H11N3 |
|---|---|
| 分子量 | 197.23600 |
| 精确质量 | 197.09500 |
| PSA | 54.74000 |
| LogP | 2.72718 |
| InChIKey | JZAVMYVQBMKQNC-UHFFFAOYSA-N |
| SMILES | Cn1c(C#N)ccc1-c1ccc(N)cc1 |
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5-(4-aminopheny... 921631-37-0 |
| 文献：Wyeth Patent: US2007/27125 A1, 2007 ; Location in patent: Page/Page column 9 ; |
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5-(4-aminopheny... 921631-37-0 |
| 文献：McComas, Casey; Cohen, Jeffrey; Huselton, Christine; Marella, Michael; Melenski, Edward; Mugford, Cheryl; Slayden, Ov; Winneker, Richard; Wrobel, Jay; Yudt, Matthew R.; Fensome, Andrew Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 23 p. 7119 - 7122 |
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5-(4-aminopheny... 921631-37-0 |
| 文献：McComas, Casey; Cohen, Jeffrey; Huselton, Christine; Marella, Michael; Melenski, Edward; Mugford, Cheryl; Slayden, Ov; Winneker, Richard; Wrobel, Jay; Yudt, Matthew R.; Fensome, Andrew Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 23 p. 7119 - 7122 |
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实验名称：Mutagenicity in Salmonella typhimurium in presence of liver S9 fraction by non-GLP Am...
来源：ChEMBL
靶标：Salmonella enterica subsp. enterica serovar Typhimurium
External Id：CHEMBL2216245
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实验名称：AUC (0 to infinity) in rat at 20 mg/kg, po administered as single dose
来源：ChEMBL
靶标：Rattus norvegicus
External Id：CHEMBL2216248
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实验名称：Half life in rat at 20 mg/kg, po administered as single dose
来源：ChEMBL
靶标：Rattus norvegicus
External Id：CHEMBL2216247
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