bis(3-(azaniumylmethyl)heptane); bis(hexafluoro-$l^{5}-phosphanuide)

• ChemBase编号: 110471
• 分子式: C16H40F12N2P2
• 平均质量: 550.4305604
• 单一同位素质量: 550.24751119
• SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CCCCC(CC)C[NH3+].CCCCC(CC)C[NH3+]
• Canonical SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CCCCC(C[NH3+])CC.CCCCC(C[NH3+])CC
• InChI: InChI=1S/2C8H19N.2F6P/c2*1-3-5-6-8(4-2)7-9;2*1-7(2,3,4,5)6/h2*8H,3-7,9H2,1-2H3;;/q;;2*-1/p+2
• InChIKey: KBZSQOAFRURBGU-UHFFFAOYSA-P

名称和登记号

名称

• IUPAC标准名: bis(3-(azaniumylmethyl)heptane); bis(hexafluoro-$l^{5}-phosphanuide)
• IUPAC传统名: bis(3-(aminiomethyl)heptane); bis(hexafluoro-$l^{5}-phosphanuide)
• 别名: DI-2-ETHYLHEXYLAMMONIUM HEXAFLUOROPHOSPHATE

登记号

• PubChem SID: 162106409
• PubChem CID: 44135569

理论计算性质

• 质子受体: 0
• 质子供体: 1
• LogD (pH = 5.5): -0.6271767
• LogD (pH = 7.4): -0.21645015
• Log P: 2.397119
• 摩尔折射率: 53.3598 cm^3
• 极化性: 16.958946 Å^3
• 极化表面积: 27.64 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05215148

MP Biomedicals Rare Chemical collection