3-hexyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 798346
• 分子式: C11H21F6N2P
• 平均质量: 326.2620202
• 单一同位素质量: 326.13465463
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(c(n(cc1)C)C)CCCCCC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCC[n+]1ccn(c1C)C
• InChI: InChI=1S/C11H21N2.F6P/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;1-7(2,3,4,5)6/h9-10H,4-8H2,1-3H3;/q+1;-1
• InChIKey: VFDQWDIUTDNJQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-hexyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 1-hexyl-2,3-dimethylimidazol-1-ium hexafluorophosphate
• 别名: 1-hexyl-2,3-dimethylimidazolium hexafluorophosphate

登记号

• CAS号: 653601-27-5

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.6176789
• LogD (pH = 7.4): -1.6176789
• Log P: -1.6176789
• 摩尔折射率: 67.1347 cm^3
• 极化性: 21.897806 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%