249561-98-6 (2-氯-1,3-双(二甲基氨基)三亚甲六氟磷酸盐,N-2-Chloro-3-(dimethylamino)-2-propen-1-ylidene-N-methylmethanaminium Hexafluorophosphate)

CAS号:
249561-98-6
中文名称:
2-氯-1,3-双(二甲基氨基)三亚甲六氟磷酸盐
英文名称:
N-2-Chloro-3-(dimethylamino)-2-propen-1-ylidene-N-methylmethanaminium Hexafluorophosphate
分子式:
C7H14ClF6N2P
分子量:
306.616642475128

2-氯-1,3-双(二甲基氨基)三亚甲六氟磷酸盐(249561-98-6)名称与标识符

名称

中文别名:
2-氯-1,3-双(二甲基氨基)三亚甲六氟磷酸盐;依托考昔相关物质C;依托考昔杂质C;依托考昔中间体;
英文别名:
2-Chloro-1,3-bis(dimentylamino)trimethinium hexafluorophosphate;N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V);2-CHLORO1,3-BIS(DIMETHYLAMINO)TRIMETHINIUM HEXA FLUORO PHOSPHATE;2-Chloro-1,bis(dma)trimethiniumhexafluorophosphate;CDT;N,N-DiMethyl-2-chloro-triMethiniuM Hexafluorophosphate;2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate;(Z)-N-(2-CHLORO-3-(DIMETHYLAMINO)ALLYLIDENE)-N-METHYLMETHANAMINIUM HEXAFLUOROPHOSPHATE(V);X3ESZ1676P;2-Propen-1-aminium, 2-chloro-3-(dimethylamino)-N,N-dimethyl-, (2Z)-, hexafluorophosphate(1-) (1:1);Etoricoxib related compound C;2-C;Methanaminium, N-(2-chloro-3-(dimethylamino)-2-propenylidene)-N-methyl-, hexafluorophosphate(1-);N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate(V);(Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate;(Z)-2-chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate;N-(2-Chloro-3-(dimethylamino)-2-propenylidene)-N-methylmethanaminuium hexafluorophosphate;AM86804;2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE;2-chloro-3-(dimethylamino)-N,N-dimethylprop-2-en-1-iminium hexafluorophosphate;Methanaminium, N-[2-chloro-3-(dimethylamino)-2-propen-1-ylidene]-N-methyl-, hexafluorophosphate(1-) (1:1);N-[(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]-N-methylmethanaminium hexafluorophosphate;(2Z)-2-chloro-3-(dimethylamino)-N,N-dimethylprop-2-en-1-iminium hexafluorophosphate;AKOS015852446;F15706;((Z)-2-Chloro-3-dimethylamino-allylidene)-dimethyl-ammonium hexafluoro phosphate;291756-76-8;A904645;PIUHAULDXSPPQV-UHFFFAOYSA-N;[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate;CS-W005317;[2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-lambda5-phosphanuide;EC 619-785-1;2-Chloro-3-(dimethylamino)-N,N-dimethyl-2-propen-1-aminium Hexafluorophosphate(1-);Vinamidinium hexaflurophophate;2-chloro-1,3-bis(dimethylamino)trimethinium hexaflurophosphate;J-508592;N-[2-Chloro-3-(dimethylamino)-2-propen-1-ylidene]-N-methylmethanaminium Hexafluorophosphate;A876515;Methanaminium, N-((2Z)-2-chloro-3-(dimethylamino)-2-propenylidene)-N-methyl-, hexafluorophosphate(1-);AS-18920;2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate, AldrichCPR;EN300-84491;N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminiumhexafluorophosphate(V);Q27293510;UNII-X3ESZ1676P;AC8643;249561-98-6;MFCD08458255;(2Z)-2-chloro-3-(dimethylamino)-N,N-dimethylprop-2-en-1-iminium hexafluorophosphate; Methanaminium, N-[2-chloro-3-(dimethylamino)-2-propen-1-ylidene]-N-methyl-, hexafluorophosphate(1-) (1:1);SCHEMBL26093087;2-Chloro-3-(dimethylamino)-N pound notN-dimethyl-2-propen-1-aminiumHexafluorophosphate(1-);

标识符

MDL:
MFCD08458255
InChIKey:
PIUHAULDXSPPQV-UHFFFAOYSA-N
Inchi:
1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
SMILES:
Cl/C(=C\N(C)C)/C=[N+](\C)/C.[P-](F)(F)(F)(F)(F)F

2-氯-1,3-双(二甲基氨基)三亚甲六氟磷酸盐(249561-98-6)物化性质

实验特性

  • LogP : 4.35350
  • PSA : 19.84000
  • 沸点 : No data available
  • 熔点 : 125-126°C
  • 蒸气压 : No data available
  • 闪点 : No data available
  • 颜色与性状 : No data available

计算特性

  • 精确分子量 : 306.04900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 2
  • 同位素质量 : 306.0487321g/mol
  • 重原子数量 : 17
  • 复杂度 : 201
  • 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 : 1
  • 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 : 6.2

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2-氯-1,3-双(二甲基氨基)三亚甲六氟磷酸盐(249561-98-6)参考资料

Beilstein:
N192299
PubChem CID: