ethyldimethylpropylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane

• ChemBase编号: 143139
• 分子式: C9H18F6N2O4S2
• 平均质量: 396.3706392
• 单一同位素质量: 396.06121839
• SMILES: CCC[N+](C)(C)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.CCC[N+](CC)(C)C
• InChI: InChI=1S/C7H18N.C2F6NO4S2/c1-5-7-8(3,4)6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1
• InChIKey: FKXJTTMLNYZAOH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyldimethylpropylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
• IUPAC传统名: bistriflylimide anion; ethyldimethylpropylazanium
• 别名: 乙基二甲基丙基铵双(三氟甲基磺酰)亚胺; Ethyldimethylpropylammonium bis(trifluoromethylsulfonyl)imide

登记号

• CAS号: 258273-77-7
• MDL号: MFCD09038862
• PubChem SID: 162237361
• PubChem CID: 71310880

理论计算性质

• Acid pKa: -0.54394513
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.0732763
• LogD (pH = 7.4): 3.0732765
• Log P: 2.1652188
• 摩尔折射率: 31.3346 cm^3
• 极化性: 14.158181 Å^3
• 极化表面积: 77.51 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 99%
• 杂质: ≤1.0% water
• Empirical Formula (Hill Notation): C9H18F6N2O4S2

详细说明

Sigma Aldrich - 727989

包装
1, 5 g in glass bottle