| 融点 |
230-2310C |
| 沸点 |
571.2±60.0 °C(Predicted) |
| 比重(密度) |
1.2812 (rough estimate) |
| 屈折率 |
1.6510 (estimate) |
| 貯蔵温度 |
2-8°C |
| 溶解性 |
Practically insoluble in water, soluble in acetone and in alcohol, slightly soluble in methylene chloride. It dissolves in dilute solutions of alkali hydroxides. |
| 外見 |
Solid |
| 酸解離定数(Pka) |
pK1 3.6, pK2 7.7(at 25℃) |
| 色 |
White to Light Yellow |
| 水溶解度 |
Soluble in ethanol (10 mg/ml), DMSO (25 mg/ml), acetone, benzene, methanol, propylene glycol, and water (<1 mg/ml). |
| 主な用途 |
pharmaceutical (small molecule) |
| InChI |
InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) |
| InChIKey |
MAEIEVLCKWDQJH-UHFFFAOYSA-N |
| SMILES |
C(O)(=O)C1=CC(NCCCC)=C(OC2=CC=CC=C2)C(S(N)(=O)=O)=C1 |
| CAS データベース |
28395-03-1(CAS DataBase Reference) |
| EPAの化学物質情報 |
Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-phenoxy- (28395-03-1) |
