625384-22-7 (2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐,2-(1h-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate)

快速询单

结构式：

2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐MOL文件

CAS号：

625384-22-7

中文名称：

2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐

英文名称：

2-(1h-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate

分子式：

C₁₁H₁₆F₆N₅OP

分子量：

379.2418

2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐(625384-22-7)名称与标识符

名称

英文别名：

HBTU;o-Benzotriazol-1-yl-N,N,N',N'-tetramethyluronium hexafluorophosphate;2-(1h-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate;O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate;hbtu-reagent;N,N,N',N'-Tetramethyl-O-(1H-benzotriazol-1-yl)uronium hexafluorophosphate;HBTU [O-Benzotriazole-N,N,N',N'-tetramethyl-uronium-hexafluoro-phosphate];o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate;ST51007044;o-(1h-benzotriazol-1-yl)-n,;

标识符

InChIKey：

UQYZFNUUOSSNKT-UHFFFAOYSA-N

Inchi：

1S/C11H16N5O.F6P/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1

SMILES：

[P-](F)(F)(F)(F)(F)F.O(/C(/N(C([H])([H])[H])C([H])([H])[H])=[N+](\C([H])([H])[H])/C([H])([H])[H])N1C2=C([H])C([H])=C([H])C([H])=C2N=N1

2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐(625384-22-7)物化性质

计算特性

精确分子量 : 379.09966612 g/mol
氢键供体数量 : 0
氢键受体数量 : 10
可旋转化学键数量 : 3
同位素质量 : 379.09966612 g/mol
重原子数量 : 24
复杂度 : 350
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 : 2
拓扑分子极性表面积 : 46.2
分子量 : 379.24

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625384-22-7 (2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐,2-(1h-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate)

2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐(625384-22-7)名称与标识符

名称

标识符

2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐(625384-22-7)物化性质

计算特性

2-(1H-苯并三唑-1-基)-1,1,3,3-四甲基脲六氟磷酸盐(625384-22-7)相关文献

目录