1. 主信息
| 英文名: | 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine |
| 中文名: | - |
| CAS编号: | 21674-38-4 |
| 化学分子式： | C24F45N3 |
| 化学分子量： | 1185.2 g/mol |
| SMILES： | C1(=NC(=NC(=N1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| 来源： | 合成化合物 |
| 结构类型： | - |
| 其它名称或标识： |
- |
2. 供应商与价格
| 供应商 | 包装规格 | 含量 | 价格(元) | 环境要求 | 货期 | 说明 |
| 科华智慧 | 10mg | 97% | 176 | 2-8℃ | 现货 | - |
| 科华智慧 | 100mg | >98%(GC) | 448 | 2-8℃ | 现货 | - |
3. 结构
3.1 二维结构
3.2 三维结构
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4. 国际命名与标识
4.1 IUPAC Name
2,4,6-tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
4.2 InChl
InChI=1S/C24F45N3/c25-4(26,7(31,32)10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)63)1-70-2(5(27,28)8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(64,65)66)72-3(71-1)6(29,30)9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(67,68)69
4.3 InChlKey
BFAUAMWYFFXWLX-UHFFFAOYSA-N
4.4 Canonical SMILES
C1(=NC(=NC(=N1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
4.5 lsomeric SMILES
-
4.6 SDF文件
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5. 波谱数据
5.1 13C核磁共振谱(13C NMR)
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5.2 1H核磁共振谱(1H NMR)
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5.3 质谱(MS)
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5.4 红外光谱(IR)
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5.5 紫外/可见光谱(UV/Vis)
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6. 相关药材
| 中文名称 | 英文名称 | 拉丁文名称 |
7. 相关靶点
| 基因靶点 | 靶点位置 | 参考文献 |
8. 相关疾病
| 疾病名称 | 疾病类型 | 参考文献 |
--暂无3D模型数据--
