4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate
化学名:4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate
CAS番号.202189-76-2
英語名:4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate
CBNumberCB93076733
MFC23H29NO4S
MW415.55
MOL File202189-76-2.mol
4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate物理性質
| 沸点 | 545.1±45.0 °C(Predicted) |
| 比重(密度) | 1.14±0.1 g/cm3(Predicted) |
| 蒸気圧 | 0Pa at 25℃ |
| 貯蔵温度 | 2-8°C |
| 溶解性 | soluble in Dichloromethane; |
| 酸解離定数(Pka) | 5.78±0.70(Predicted) |
| 水溶解度 | 5.717μg/L at 25℃ |
| InChI | InChI=1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3 |
| InChIKey | BGUOPDZOVDIWLE-UHFFFAOYSA-N |
| SMILES | C(C1C=CC(CCOS(C2C=CC(C)=CC=2)(=O)=O)=CC=1)(C1OCC(C)(C)N=1)(C)C |
| LogP | 6.6 |
