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

• ChemBase编号: 798556
• 分子式: C16H31F6N2P
• 平均质量: 396.3949202
• 单一同位素质量: 396.21290495
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CCCCCCCCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCCCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C16H31N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-7(2,3,4,5)6/h14-16H,3-13H2,1-2H3;/q+1;-1
• InChIKey: MPHALGYBTKGJEV-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 219947-93-0

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.4105719
• LogD (pH = 7.4): 1.4105719
• Log P: 1.4105719
• 摩尔折射率: 79.5343 cm^3
• 极化性: 31.20732 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%