3-{[3-(4-heptylphenyl)-3-hydroxypropyl]dimethylazaniumyl}propane-1-sulfonate

• ChemBase编号: 153834
• 分子式: C21H37NO4S
• 平均质量: 399.58778
• 单一同位素质量: 399.24432967
• SMILES: CCCCCCCc1ccc(cc1)C(CC[N+](C)(C)CCCS(=O)(=O)[O-])O
• Canonical SMILES: CCCCCCCc1ccc(cc1)C(CC[N+](CCCS(=O)(=O)[O-])(C)C)O
• InChI: InChI=1S/C21H37NO4S/c1-4-5-6-7-8-10-19-11-13-20(14-12-19)21(23)15-17-22(2,3)16-9-18-27(24,25)26/h11-14,21,23H,4-10,15-18H2,1-3H3
• InChIKey: FUPYROAFYPQUSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{[3-(4-heptylphenyl)-3-hydroxypropyl]dimethylazaniumyl}propane-1-sulfonate
• IUPAC传统名: 3-{[3-(4-heptylphenyl)-3-hydroxypropyl]dimethylammonio}propane-1-sulfonate
• 别名: 3-(4-Heptyl)phenyl-3-hydroxypropyl)dimethylammoniopropanesulfonate; C7BzO

登记号

• MDL号: MFCD04039997
• PubChem SID: 162247973; 24892277
• PubChem CID: 11951796

理论计算性质

• Acid pKa: -0.97106874
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.4666157
• LogD (pH = 7.4): 1.4666158
• Log P: -0.55698544
• 摩尔折射率: 122.4194 cm^3
• 极化性: 44.453182 Å^3
• 极化表面积: 77.43 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: true

分子性质

理化性质

• 胶束聚集数: ≤25

安全信息

• 德国WGK号: 1
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 简要说明: zwitterionic
• Mol. Weight: average mol wt <10,000; estimated mol wt 400 Da (anhydrous)

详细说明

Sigma Aldrich - C0856

Application
C7BzO is a component of Sigma′s Protein Extraction Reagent Type 4 (C0356), important in the superior performance of our ProteoPrep® Kits (PROT-TWO, PROT-TOT, and PROT-MEM) for protein extraction.
Other Notes
Zwitterionic detergent; especially well-suited to protein extraction for proteomics applications.
法律信息
ProteoPrep is a registered trademark of Sigma-Aldrich Co. LLC