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

• ChemBase编号: 798521
• 分子式: C6H11F6N2P
• 平均质量: 256.1291202
• 单一同位素质量: 256.05640431
• SMILES: [P-](F)(F)(F)(F)(F)F.[n+]1(cn(cc1)C)CC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CC[n+]1ccn(c1)C
• InChI: InChI=1S/C6H11N2.F6P/c1-3-8-5-4-7(2)6-8;1-7(2,3,4,5)6/h4-6H,3H2,1-2H3;/q+1;-1
• InChIKey: DPDAKOVGQUGTHH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 155371-19-0

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• 摩尔折射率: 33.6013 cm^3
• 极化性: 12.755673 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%