4-噻唑甲醇,2-(3-溴苯基)-
- 中文名称:
- 4-噻唑甲醇,2-(3-溴苯基)-
- 中文别名:
- 4-噻唑甲醇,2-(3-溴苯基)-;
(4E)-5-(hydroxymethyl)-4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-methylpyridin-3-one
- 英文名称:
- 3-Pyridinemethanol,5-hydroxy-4-[[[2-(1H-indol-3-yl)ethyl]imino]methyl]-6-methyl-
- 英文别名:
- (4E)-5-(hydroxymethyl)-4-[[2-(1H-indol-3-yl)ethylamino]methylidene]-2-methylpyridin-3-one;
3-Pyridinemethanol,5-hydroxy-4-(((2-(1H-indol-3-yl)ethyl)imino)methyl)-6-methyl;
3-Hydroxy-5-hydroxymethyl-2-methyl-pyridin-4-carbaldehyd-(2-indol-3-yl-aethylimin);
pyridoxylidenetryptamine Schiff base;
3-hydroxy-5-hydroxymethyl-2-methyl-pyridine-4-carbaldehyde-(2-indol-3-yl-ethylimine);
N-((3-Hydroxy-5-hydroxymethyl-2-methyl)-4-pyridylmethylidene)tryptamine;
1-(3-Hydroxymethyl-5-hydroxy-6-methylpyridyl-(4)-methylenamino)-2-(3-indolyl)ethan;
Pyridoxylidenetryptamine;
5-Hydroxy-4-(((2-(1H-indol-3-yl)ethyl)imino)methyl)-6-methyl-3-pyridinemethanol
- CAS No.:
- 98497-88-2
- 分 子 式:
-
C18H19N3O2
- 分 子 量:
- 0
- 精确分子量:
- 309.14800
- PSA:
- 77.48000
- 分子结构式:
-
- SDS:
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4-噻唑甲醇,2-(3-溴苯基)- 物化性质
- 密度:
- 1.26g/cm3
- 沸点:
- 564.6ºC at 760mmHg
- 闪点:
- 295.3ºC
- 折射率:
- 1.643
4-噻唑甲醇,2-(3-溴苯基)- 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):1.3
2.氢键供体数量:3
3.氢键受体数量:4
4.可旋转化学键数量:5
5.互变异构体数量:3
6.拓扑分子极性表面积:77.5
7.重原子数量:23
8.表面电荷:0
9.复杂度:551
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1