THJ2201 基本信息
| 中文名稱 | THJ2201 |
|---|---|
| 中文同義詞 | |
| 英文名稱 | THJ2201 |
| 英文同義詞 | THJ2201;SDB-005;NAPHTHALEN-1-YL 1-PENTYL-1H-INDAZOLE-3-CARBOXYLATE;5F-THJ018;Methanone, [1-(5-fluoropentyl)-1H-indazol-3-yl]-1-naphthalenyl-;ethylbutanamine;[1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone;CL284 |
| CAS號 | 1801552-01-1 |
| 分子式 | C23H21FN2O |
| 分子量 | 360.42 |
| EINECS號 | |
| 相關(guān)類別 | pharmaceutical intermediate;Food Additives;Food addiitive;intermediate;pharmaceutical intermediate and medicine grade |
| Mol文件 | 1801552-01-1.mol |
| 結(jié)構(gòu)式 |  |
THJ2201 性質(zhì)
| 沸點(diǎn) | 546.1±30.0 °C(Predicted) |
|---|---|
| 密度 | 1.18±0.1 g/cm3(Predicted) |
| 溶解度 | DMF：5mg/mL；二甲基亞砜：5mg/mL |
| 形態(tài) | 結(jié)晶固體 |
| 酸度系數(shù)(pKa) | -1.14±0.50(Predicted) |
| InChI | InChI=1S/C23H21FN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2 |
| InChIKey | DULWRYKFTVFPTL-UHFFFAOYSA-N |
| SMILES | C(C1C2=C(N(CCCCCF)N=1)C=CC=C2)(C1=C2C(C=CC=C2)=CC=C1)=O |