3758-54-1 ((2-羟基乙基)二甲基(3-硬酯酰胺基丙基)磷酸铵盐,2-HYDROXYETHYL)DIMETHYL(3-STEAMIDOPROPYL)AMMONIUM PHOSPHATE)

CAS号:
3758-54-1
中文名称:
(2-羟基乙基)二甲基(3-硬酯酰胺基丙基)磷酸铵盐
英文名称:
2-HYDROXYETHYL)DIMETHYL(3-STEAMIDOPROPYL)AMMONIUM PHOSPHATE
分子式:
C25H55N2O6P
分子量:
510.687769174576

(2-羟基乙基)二甲基(3-硬酯酰胺基丙基)磷酸铵盐(3758-54-1)名称与标识符

名称

中文别名:
(2-羟基乙基)二甲基(3-硬酯酰胺基丙基)磷酸铵盐;2-羟基乙基二甲基-3-硬脂酸酰胺丙基磷酸铵;N-(2-羟乙基)-N,N-二甲基-3-[(1-十八酰基]氨基]磷酸丙铵盐;(2-羟乙基)二甲基(3-硬脂酰氨基)磷酸二氢铵;
英文别名:
2-HYDROXYETHYL)DIMETHYL(3-STEAMIDOPROPYL)AMMONIUM PHOSPHATE;dihydrogen phosphate,2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium;(2-Hydroxyethyl)dimethyl(3-stearamidopropyl)ammonium dihydrogen phosphate;2-Hydroxyethyldimethyl-3-stearamidopropylammonium phosphate;Catanac SP;Catanac SP Antistatic Agent;Cationic SP;Cyastat SP;EINECS 223-165-2;NSC 12585;Stearamidopropyl dimethyl 2-hydroxyethyl ammonium dihydrogen phosphate;(Stearamidopropyl)dimethyl(2-hydroxyethyl)ammonium dihydrogen phosphate;N-(2-Hydroxyethyl)-N,N-dimethyl-3-(octadecanoylamino)propan-1-aminium dihydrogen phosphate;3758-54-1;Stearamidopropyldimethyl-.beta.-hydroxyethylammonium dihydrogen phosphate;dihydrogen phosphate;2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium;NSC-12585;Dimethyl(2-hydroxyethyl)(3-octadecamidepropyl)ammonium dihydrogen phosphate;NSC12585;1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((1-oxooctadecyl)amino)-, phosphate (1:1);Stearamidopropyldimethyl-beta-hydroxyethylammonium phosphate;SCHEMBL2473754;1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((1-oxooctadecyl)amino)-, phosphate (1:1) (salt);DTXSID9052050;Stearamidopropyldimethyl-.beta.-hydroxyethylammonium phosphate;NS00112606;Ammonium, (2-hydroxyethyl)dimethyl(3-stearamidopropyl)-, phosphate (1:1) (salt);Dimethyl(2-hydroxyethyl)(3-octadecamidepropyl)ammonium dihydrogen;Ammonium, phosphate (1:1) (salt);1-Propanaminium,N-dimethyl-3-[(1-oxooctadecyl)amino]-, phosphate (1:1) (salt);(2-HYDROXYETHYL)DIMETHYL(3-STEARAMIDOPROPYL)AMMONIUM DIHYDROGEN PHOSPHONATE;

标识符

InChIKey:
CDWDDCFBDRKNLE-UHFFFAOYSA-N
Inchi:
1S/C25H52N2O2.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;1-5(2,3)4/h28H,4-24H2,1-3H3;(H3,1,2,3,4)
SMILES:
P(=O)([O-])(O)O.OCC[N+](C)(C)CCCNC(CCCCCCCCCCCCCCCCC)=O

(2-羟基乙基)二甲基(3-硬酯酰胺基丙基)磷酸铵盐(3758-54-1)物化性质

实验特性

  • LogP : 5.72340
  • PSA : 139.73000

计算特性

  • 精确分子量 : 510.38000
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 22
  • 同位素质量 : 510.37977448g/mol
  • 重原子数量 : 34
  • 复杂度 : 409
  • 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 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 130Ų