6-methoxy-1-(3-sulfonatopropyl)quinolin-1-ium

• ChemBase编号: 104043
• 分子式: C13H15NO4S
• 平均质量: 281.3275
• 单一同位素质量: 281.07217897
• SMILES: COc1ccc2c(ccc[n+]2CCCS(=O)(=O)[O-])c1
• Canonical SMILES: COc1ccc2c(c1)ccc[n+]2CCCS(=O)(=O)[O-]
• InChI: InChI=1S/C13H15NO4S/c1-18-12-5-6-13-11(10-12)4-2-7-14(13)8-3-9-19(15,16)17/h2,4-7,10H,3,8-9H2,1H3
• InChIKey: ZVDGOJFPFMINBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methoxy-1-(3-sulfonatopropyl)quinolin-1-ium
• IUPAC传统名: 6-methoxy-1-(3-sulfonatopropyl)quinolin-1-ium
• 别名: 6-METHOXY-N-(3-SULFOPROPYL) QUINOLINIUM; 6-Methoxy-1-(3-sulfopropyl)quinolinium Inner Salt; SPQ; 6-Methoxy-N-(3-sulfopropyl)quinolinium

登记号

• CAS号: 83907-40-8
• PubChem SID: 162105841
• PubChem CID: 123936

理论计算性质

• Acid pKa: -1.3753217
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -4.4227357
• LogD (pH = 7.4): -4.4227366
• Log P: -3.246338
• 摩尔折射率: 71.2774 cm^3
• 极化性: 29.724257 Å^3
• 极化表面积: 70.31 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: Off-White to Tan Solid
• 熔点: >299°C dec.

安全信息

• 保存条件: -20°C Freezer

产品相关信息

• 纯度: ≥98%

详细说明

MP Biomedicals - 02154240

(SPQ) Purity: ≥98% C13H15NO4S MW 281.34

Toronto Research Chemicals - M268500

SPQ offers a simple and yet powerful method to examine and measure membrane chloride transport mechanisms.

参考文献

• Tanford, C., et al.: J. Phys. Chem., 76, 3020 (1972,) Verkman, A., et al.: Anal. Biochem., 178, 355 (1989)
• Danino, D., et al.: Science, 269, 1420 (1989)
• Rodriguez, A., et al.: Langmuir, 19, 7206 (1989)