O-(苯并三唑-1-基)-N,N,N',N'-二吡咯基脲六氟磷酸酯 | 105379-24-6
O-(苯并三唑-1-基)-N,N,N',N'-二吡咯基脲六氟磷酸酯
HBPyU
105379-24-6
C15H20F6N5OP
431.3164
名称和标识符
MDL |
MFCD00191770 |
InChIKey |
XKTRAGMCMJYRRN-UHFFFAOYSA-N |
Inchi |
1S/C15H20N5O.F6P/c1-2-8-14-13(7-1)16-17-20(14)21-15(18-9-3-4-10-18)19-11-5-6-12-19;1-7(2,3,4,5)6/h1-2,7-8H,3-6,9-12H2;/q+1;-1 |
SMILES |
[P-](F)(F)(F)(F)(F)F.O(/C(/N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=[N+]1/C([H])([H])C([H])([H])C([H])([H])C/1([H])[H])N1C2=C([H])C([H])=C([H])C([H])=C2N=N1 |
别名信息
- 中文别名 -
- (苯并三氮唑-1-基氧基)二吡咯烷碳鎓六氟磷酸盐
- (苯并三唑-1-基)-N,N,N',N'-二吡咯基脲六氟磷酸酯
- O-(苯并三唑-1-基)-N,N,N',N'-双(四亚甲基)六氟磷酸脲
- (苯并三氮唑-1-基氧基)二吡咯烷碳六氟磷酸盐
- (苯并三唑-1-基)-N,N,N ,N -二吡咯基脲六氟磷酸酯
- (苯并三唑-1-基)-N,N,N'',N''-二吡咯基脲六氟磷酸酯
- (苯并三唑-1-基)-N,N,N\',N\'-二吡咯基脲六氟磷酸酯
- HBPyU -(苯并三唑-1-基)-N,N,N',N'-二吡咯基脲六氟磷酸酯
- HBPYU O-(苯并三唑-1-基)-N,N,N',N'-二吡咯基脲六氟磷酸酯
- O-(苯并三唑-1-基)-N,N,N',N'-二吡咯基脲六氟磷酸酯
- 环己基膦酰二氯
- 5-溴-2'-脱氧尿苷
- O-(苯并三唑-1-基)-N,N,N',N'-二吡咯基脲六氟磷酸盐
- O-(苯并三唑-1-基)-N,N,N’,N’-二吡咯基脲六氟磷酸酯
- 英文别名 -
- HBPyU
- (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate
- O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate
- 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole,hexafluorophosphate
- 5-BroMo-2-deoxyuridine
- O-(Benzotriazol-1-yl)-N,N,N,N-bis(tetramethylene)uronium hexafluorophosphate
- O-(Benzotriazol-1-yl)-N,N,N′,N′-bis(tetramethylene)u
- O-(Benzotriazol-1-yl)-N,N,N′,N′-bis(tetraMethylene)uroniuM hexafluorophosphate
- (1H-Benzo[d][1,2,3]triazol-1-yl)(di(pyrrolidin-1-yl)methylene)oxonium hexafluorophosphate(V)
- HBPYU, O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate
- 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole hexafluorophosphate
- O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluoroph
- SCHEMBL19898986
- MFCD00191770
- AS-17658
- B4805
- W-200738
- AKOS024370899
- A801219
- 1-(((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)(pyrrolidin-1-yl)methylene)pyrrolidin-1-ium hexafluorophosphate(V)
- XKTRAGMCMJYRRN-UHFFFAOYSA-N
- 105379-24-6
- 1-[1-pyrrolidin-1-iumylidene(1-pyrrolidinyl)methoxy]benzotriazole hexafluorophosphate
- O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate, >=98.0%
- BCP9000026
- AM83828
- 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole
- hexafluorophosphate
- AC-24871
- o-(1h-benzotriazol-1-yl)-n,n,n',n'-bis(tetramethylene)uronium hexafluorophosphate
- DTXSID90546720
- 1-(((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)(pyrrolidin-1-yl)methylene)pyrrolidin-1-iumhexafluorophosphate(V)
- BCP22740
- 1305334-25-1
- SY019122
- 1-[Di(1-pyrrolidinyl)methylene]-1-benzotriazolium 3-Oxide Hexafluorophosphate
- 1-{[(1H-Benzotriazol-1-yl)oxy](pyrrolidin-1-yl)methylidene}pyrrolidin-1-ium hexafluorophosphate
- AKOS004900875
- AKOS027320360
- CS-W011624
- FT-0652742
物化性质
实验特性
LogP |
4.39710 |
PSA |
59.78000 |
沸点 |
No data available |
熔点 |
176 ºC (dec.) |
蒸气压 |
No data available |
闪点 |
No data available |
溶解度 |
acetonitrile: 0.1 g/mL, clear |
颜色与性状 |
晶体 |
溶解性 |
能溶于水的 |
计算特性
精确分子量 |
431.13100 |
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 |
431.13096625g/mol |
重原子数量 |
28 |
复杂度 |
441 |
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 |
疏水参数计算参考值(XlogP) |
无 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
46.2 |
参考资料
Reaxys RN |
4347084 |
Beilstein |
MFCD00191770 |