2-[(4-Methylpiperazin-1-yl)carbonyl]benzoic acid
化学名:2-[(4-Methylpiperazin-1-yl)carbonyl]benzoic acid
CAS番号.20320-46-1
英語名:2-[(4-Methylpiperazin-1-yl)carbonyl]benzoic acid
CBNumberCB4480912
MFC13H16N2O3
MW248.28
MOL File20320-46-1.mol
2-[(4-Methylpiperazin-1-yl)carbonyl]benzoic acid物理性質
| 融点 | 270 °C |
| 沸点 | 443.3±40.0 °C(Predicted) |
| 比重(密度) | 1.253±0.06 g/cm3(Predicted) |
| 酸解離定数(Pka) | 3.62±0.36(Predicted) |
| 外見 | solid |
| InChI | 1S/C13H16N2O3/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13(17)18/h2-5H,6-9H2,1H3,(H,17,18) |
| InChIKey | ZAFOSGZICIJIGO-UHFFFAOYSA-N |
| SMILES | CN1CCN(CC1)C(=O)c2ccccc2C(O)=O |
