| InChIKey | LVVKXRQZSRUVPY-HNNXBMFYSA-O |
| Inchi | InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/p+1/t15-/m0/s1 |
| SMILES | OC1C=CC(C[C@@H]2[NH2+]CCC3=CC(=C(C=C23)O)OC)=CC=1 |
| LogP | 2.86470 |
| PSA | 61.72000 |
| 折射率 | 1.62 |
| 沸点 | 496.9°Cat760mmHg |
| 熔点 | 222-224 ºC |
| 闪点 | 254.3°C |
| 溶解度 | 微溶 (1 g/L) (25 ºC), |
| 密度 | 1.232±0.06 g/cm3 (20 ºC 760 Torr), |
| 精确分子量 | 285.13600 |
| 氢键供体数量 | 3 |
| 氢键受体数量 | 4 |
| 可旋转化学键数量 | 3 |
| 同位素质量 | 285.136 |
| 重原子数量 | 21 |
| 复杂度 | 330 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 1 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 0 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | 2.6 |
| 拓扑分子极性表面积 | 61.7A^2 |
| 准确质量 | 285.136 |
| 分子量 | 285.34 |
| 海关编码 | 2933499090 |
| 海关数据 |
中国海关编码：2933499090概述：2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素：品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 Summary：2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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物理化学性质
产品用途
应用领域
化学品安全说明书(MSDS)
储运特性
乌药碱的质谱图
