125700-68-7 (HNTU2-(内-5-降冰片烯-2,3-二羧酰亚胺)-1,1,3,3-四甲基脲六氟磷酸盐,Methanaminium,1-(dimethylamino)-N,N-dimethyl-1-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]-)

CAS号:
125700-68-7
中文名称:
HNTU2-(内-5-降冰片烯-2,3-二羧酰亚胺)-1,1,3,3-四甲基脲六氟磷酸盐
英文名称:
Methanaminium,1-(dimethylamino)-N,N-dimethyl-1-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]-
分子式:
C12H16F6N5O2P
分子量:
407.251923561096

HNTU2-(内-5-降冰片烯-2,3-二羧酰亚胺)-1,1,3,3-四甲基脲六氟磷酸盐(125700-68-7)名称与标识符

名称

中文别名:
(HNTU)2-(内-5-降冰片烯-2,3-二羧酰亚胺)-1,1,3,3-四甲基脲六氟磷酸盐;2-(内-5-降冰片烯-2,3-二羧酰亚胺)-1,1,3,3-四甲基脲六氟磷酸盐;HNTU2-(内-5-降冰片烯-2,3-二羧酰亚胺)-1,1,3,3-四甲基脲六氟磷酸盐;
英文别名:
Methanaminium,1-(dimethylamino)-N,N-dimethyl-1-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]-;1,2,3-Benzotriazine, methanaminium deriv.;Methanaminium,N-[(dimethylamino)[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]methylene]-N-methyl-(9CI);Methanaminium, 1-(dimethylamino)-N,N-dimethyl-1-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]-, hexafluorophosphate(1-) (1:1);HDBTU;2-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N inverted exclamation mark(R),N inverted exclamation mark -tetramethyluronium hexafluorophosphate;O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate;HDBTU [2-(3,4-Dihydro-4-oxy-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate];1,1,3,3-Tetramethyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)isouronium hexafluorophosphate(V);[dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium;hexafluorophosphate;125700-68-7;1,1,3,3-Tetramethyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)uroniumhexafluorophosphate(V);AS-11072;AC-24872;SCHEMBL22262037;2-(3,4-DIHYDRO-4-OXO-1,2,3-BENZOTRIAZIN-3-YL)-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE;AKOS030228389;2-(endo-5-Norbornene;MFCD08274616;1,1,3,3-Tetramethyl-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)uronium hexafluorophosphate(V);N,N,N',N'-Tetramethyl-O-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)uronium hexafluorophosphate;AKOS015909307;2-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate (HDBTU);J-505727;2-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluroniumhexafluorophosphate(HDBTU);2-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-n,n,n',n'-tetramethyluroniumhexafluorophosphate;D97779;[(dimethylamino)[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)oxy]methylidene]dimethylazanium; hexafluoro--phosphanuide;164861-52-3;FT-0764139;AM83830;[(dimethylamino)[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)oxy]methylidene]dimethylazanium; hexafluoro-lambda-phosphanuide;

标识符

InChIKey:
QGYDGCPRFFOXLW-UHFFFAOYSA-N
Inchi:
1S/C12H16N5O2.F6P/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17;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)C)=[N+](\C)/C)N1C(C2C=CC=CC=2N=N1)=O

HNTU2-(内-5-降冰片烯-2,3-二羧酰亚胺)-1,1,3,3-四甲基脲六氟磷酸盐(125700-68-7)物化性质

实验特性

  • PSA : 60.51

计算特性

  • 精确分子量 : 262.13058
  • 氢键供体数量 : 0
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 3
  • 同位素质量 : 407.09458074g/mol
  • 重原子数量 : 26
  • 复杂度 : 464
  • 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 : 60.5Ų