2-chloro-1,3-dimethylimidazolidin-1-ium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 798483
• 分子式: C5H12ClF6N2P
• 平均质量: 280.5793602
• 单一同位素质量: 280.03308202
• SMILES: [P-](F)(F)(F)(F)(F)F.[NH+]1(C(N(CC1)C)Cl)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN1CC[NH+](C1Cl)C
• InChI: InChI=1S/C5H11ClN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h5H,3-4H2,1-2H3;/q;-1/p+1
• InChIKey: XKXZSFMBPZQGIH-UHFFFAOYSA-O

名称和登记号

名称

• IUPAC标准名: 2-chloro-1,3-dimethylimidazolidin-1-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 2-chloro-1,3-dimethylimidazolidin-1-ium hexafluorophosphate
• 别名: 2-chloro-1,3-dimethylimidazolidinium hexafluorophosphate

登记号

• CAS号: 101385-69-7

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.0636251
• LogD (pH = 7.4): 1.0637745
• Log P: 1.0637764
• 摩尔折射率: 47.0138 cm^3
• 极化性: 14.057681 Å^3
• 极化表面积: 7.68 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%