1-(3-sulfonatopropyl)pyridin-1-ium

• ChemBase编号: 106022
• 分子式: C8H11NO3S
• 平均质量: 201.24284
• 单一同位素质量: 201.04596422
• SMILES: [O-]S(=O)(=O)CCC[n+]1ccccc1
• Canonical SMILES: [O-]S(=O)(=O)CCC[n+]1ccccc1
• InChI: InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
• InChIKey: REEBJQTUIJTGAL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(3-sulfonatopropyl)pyridin-1-ium
• IUPAC传统名: 1-(3-sulfonatopropyl)pyridin-1-ium
• 别名: 1-(3-磺丙基)吡啶内鎓盐; 丙烷磺酸吡啶盐; 3-(1-吡啶基)-1-丙磺酸盐 内盐; 丙烷磺酸吡啶盐 内盐; NDSB 201; 1-(3-Sulfopropyl)pyridinium betain; 3-(1-Pyridinio)-1-propanesulfonate; 3-(1-Pyridinio)-1-propanesulfonate solution; Additive Screening Solution 36/Fluka kit no 78374; 3-(1-Pyridinio)-1-propanesulfonate 2 M solution; 3-(Pyridin-1-ium-1-yl)propane-1-sulfonate; 3-[1-Pyridino]-1-propane Sulfonate; NDSB-201; PPS; 3-(1-Pyridinio)-1-propanesulfonate inner salt; 1-(3-Sulfopropyl)pyridinium hydroxide inner salt; 1-(3-Sulfopropyl)pyridinium Betaine; 1-Pyridiniumpropane-3-sulfonate; 3-(1-Pyridinio)-1-propanesulfonate; N-Propylpyridinesulfonic Acid Betaine; 1-(3-Sulfopropyl)pyridinium Inner Salt

登记号

• CAS号: 15471-17-7
• EC号: 239-491-3; 231-791-2
• MDL号: MFCD00064468
• Beilstein号: 1621867
• PubChem SID: 24855148; 162087652; 24888047; 24846871
• PubChem CID: 84929

理论计算性质

• Acid pKa: -1.6493108
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -5.2839427
• LogD (pH = 7.4): -5.283943
• Log P: -4.1075444
• 摩尔折射率: 48.4865 cm^3
• 极化性: 19.742588 Å^3
• 极化表面积: 61.08 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Water
• 外观: White Solid
• 熔点: 273-275°C; 280 °C (dec.)(lit.); 280°C (dec)
• 闪点: 160 °C; 320 °F

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97%; ≥97.0% (N); 95+%; 97%; 98%
• 简要说明: zwitterionic
• Empirical Formula (Hill Notation): C8H11NO3S

详细说明

MP Biomedicals - 02195944

Purity: >97%
Non-detergent sulfobetaine used for solubilizing membrane and nuclear proteins.

Sigma Aldrich - 82804

包装
50, 250 g in poly bottle

Toronto Research Chemicals - S699100

A non detergent sulfobetaine used as a mild solubilizing and stabilizing agent for halophilic malate dehydrogenase, halophilic elongation factor Tu (hTu), pig heart malate dehydrogenase, chicken egg white lysozyme and E. coli beta-galactosidase. Preserve

参考文献

• Vuillard, L., et al.: Anal. Biochem., 230, 290 (1995)
• Vuillard, L., et al.: FEBS Lett., 353, 294 (1995)
• Vuillard, L., et al.: Biochem. J., 305, 337 (1995)
• Goldberg, M.E., et al.: Folding & Design, 1, 21 (1996).