3-[(3-hexadecanamidopropyl)dimethylazaniumyl]propane-1-sulfonate

• ChemBase编号: 155993
• 分子式: C24H50N2O4S
• 平均质量: 462.7298
• 单一同位素质量: 462.34912909
• SMILES: CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NCCC[N+](CCCS(=O)(=O)[O-])(C)C
• InChI: InChI=1S/C24H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(27)25-20-17-21-26(2,3)22-18-23-31(28,29)30/h4-23H2,1-3H3,(H-,25,27,28,29,30)
• InChIKey: CLCSYZQBLQDRQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(3-hexadecanamidopropyl)dimethylazaniumyl]propane-1-sulfonate
• IUPAC传统名: 3-[(3-hexadecanamidopropyl)dimethylammonio]propane-1-sulfonate
• 别名: 3-[N,N-Dimethyl-N-(3-palmitamidopropyl)ammonio]propane-1-sulfonate; Amidosulfobetain-16; 3-[N,N-Dimethyl(3-palmitoylaminopropyl)ammonio]-propanesulfonate

登记号

• CAS号: 52562-29-5
• MDL号: MFCD03791122
• Beilstein号: 4016637
• PubChem SID: 162250131; 24890006
• PubChem CID: 5067680

理论计算性质

• Acid pKa: -0.8665755
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.6934338
• LogD (pH = 7.4): 2.6934354
• Log P: 2.3012924
• 摩尔折射率: 141.0306 cm^3
• 极化性: 52.106743 Å^3
• 极化表面积: 86.3 Å^2
• 可自由旋转的化学键: 22
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL, faintly turbid, faintly yellow (hot)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 简要说明: zwitterionic
• 杂质: ≤5.0% water
• Empirical Formula (Hill Notation): C24H50N2O4S

详细说明

Sigma Aldrich - 94508

Application
Zwitterionic amidosufobetaine detergent which increases the solubilization of proteins, resulting in improved detection of proteins by 2D-electrophoresis.1