1-(4-三氟甲基嘧啶-2-基)哌嗪 | 179756-91-3
1-(4-三氟甲基嘧啶-2-基)哌嗪
2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
179756-91-3
C9H11N4F3
232.20564
名称和标识符
MDL |
MFCD00203912 |
InChIKey |
WBJVPAABGFBMJQ-UHFFFAOYSA-N |
Inchi |
1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2 |
SMILES |
FC(C1=NC(N2CCNCC2)=NC=C1)(F)F |
别名信息
- 中文别名 -
- 1-(4-三氟甲基嘧啶-2-基)哌嗪
- 1-[2-(4-三氟甲基嘧啶基)]哌嗪
- 1-BOC-哌嗪-2 -甲酸
- 2-哌嗪-YL-4-(三氟代甲基)嘧啶
- 1-[4-(三氟甲基)-2-嘧啶基]哌嗪
- 英文别名 -
- 2-Piperazin-yl-4-(trifluoromethyl)pyrimidine
- 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
- 1-(4-Trifluoromethylpyrimidin-2-yl)Piperazine
- 2-(1-piperazinyl)-4-(trifluoromethyl)Pyrimidine
- 2-(Piperazin-1-yl)-4-trifluoromethylpyrimidine
- 2-Piperazin-1-yl-4-(trifluoromethyl)pyrimidine
- 1[4-(Trifluoromethyl)pyrimid-2-yl]piperazine
- 1-[4-(Trifluoromethyl)pyrimid-2-yl]piperazine
- 2-(Piperazin-2-yl)-4-(trifluoromethyl)pyrimidine
- 2-piperazin-1-yl-4-trifluoromethyl-pyrimidine
- 4-(Trifluoromethyl)-2-(piperazin-1-yl)pyrimidine
- 1-[4-(Trifluoromethyl)pyrimid-2-yl]piperazine ,97%
- 1-[4-(TrifluoroMethyl)-2-pyriMidinyl]piperazine, 97%
- 2-(piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
- TD8162
- MFCD00203912
- SY021576
- 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine
- FT-0645338
- EN300-69723
- A3987
- CHEMBL2335157
- 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine
- AKOS000311568
- FS-1112
- 2-(1-Piperazinyl)-4-(trifluoromethyl)pyrimidine
- Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-
- 1-(4-trifluoromethyl-pyrimidin-2-yl)piperazine
- 1[4-(trifluoromethyl)pyrimid-2-yl]piperazine
- DTXSID80380872
- 1-(4-Trifluoromethylpyrimidin-2-yl)piperazine
- AC-28127
- Z1117899682
- 2-PIPERAZINO-4-(TRIFLUOROMETHYL)PYRIMIDINE
- AMY5232
- 2-(piperazin-2-yl)-4-(trifluoromethyl)pyrimidine
- 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
- 1-[4-(trifluoromethyl)pyrimid-2-yl]piperazine, AldrichCPR
- W-206272
- 179756-91-3
- 2-Piperazin-I-yl-4-trifluoromethyl-pyrimidine
- 2-(piperazin-1-yl)-4-trifluoromethyl pyrimidine
- SCHEMBL230177
- CS-W012937
物化性质
实验特性
LogP |
1.29880 |
PSA |
41.05000 |
折射率 |
1.485 |
沸点 |
331.3°C at 760 mmHg |
熔点 |
50-52°C |
闪点 |
154.2±30.7 °C |
颜色与性状 |
No data available |
密度 |
1.306 |
计算特性
精确分子量 |
232.09400 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
2 |
同位素质量 |
232.094 |
重原子数量 |
16 |
复杂度 |
227 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
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) |
0.9 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
41A^2 |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
|