4-噻唑甲醇,2-(3-溴苯基)-

  • 基本信息
  • 物化性质
  • 结构与计算化学
  • 上游产品

4-噻唑甲醇,2-(3-溴苯基)- 基本信息

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

4-噻唑甲醇,2-(3-溴苯基)- 上游产品

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