3-decyl-1-methyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 798598
• 分子式: C14H27F6N2P
• 平均质量: 368.3417602
• 单一同位素质量: 368.18160482
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCCCCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C14H27N2.F6P/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-7(2,3,4,5)6/h12-14H,3-11H2,1-2H3;/q+1;-1
• InChIKey: OXZSRXCEZNETER-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-decyl-1-methyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 1-decyl-3-methylimidazolium hexafluorophosphate
• 别名: 1-decyl-3-methylimidazolium hexafluorophosphate

登记号

• CAS号: 362043-46-7

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.52143455
• LogD (pH = 7.4): 0.52143455
• Log P: 0.52143455
• 摩尔折射率: 70.3323 cm^3
• 极化性: 27.515057 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%