3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate

• ChemBase编号: 132547
• 分子式: C19H41NO3S
• 平均质量: 363.59874
• 单一同位素质量: 363.28071518
• SMILES: CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
• InChI: InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3
• InChIKey: BHATUINFZWUDIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate
• IUPAC传统名: 3-[dimethyl(tetradecyl)ammonio]propane-1-sulfonate
• 别名: 3-(N,N-二甲基十四烷基丙磺酸铵; N-十四烷基-N,N-二甲基-3-铵基-1-丙磺酸盐; 十四烷基磺基甜菜碱; 3-磺丙基十四烷基二甲基铵; 3-(Myristyldimethylammonio)propanesulfonate; SB3-14; 3-(N,N-Dimethylmyristylammonio)propanesulfonate; 3-(N,N-Dimethyltetradecylammonio)propanesulfonate; N-Tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate; Myristyl sulfobetaine; Zwittergent 3-14; 3-(Tetradecyldimethylammonio)propanesulfonate; 3-(N-Tetradecyl-N,N-dimethylammonio)propanesulfonate; 3-(Tetradecyldimethylammonio)-1-propanesulfonate; N-Tetradecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate

登记号

• CAS号: 14933-09-6
• EC号: 239-003-9
• MDL号: MFCD00036910
• Beilstein号: 6419727
• PubChem SID: 24899915; 24900472; 162226824
• PubChem CID: 84705

理论计算性质

• Acid pKa: -0.80026555
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.90127
• LogD (pH = 7.4): 2.9012702
• Log P: 0.877669
• 摩尔折射率: 114.2153 cm^3
• 极化性: 41.686295 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble1 M at 20 °C, clear, colorless; Water
• 外观: White Shiny Powder
• 熔点: 246-248°C
• 闪点: 110 °C; 230 °F
• 临界胶束浓度: 0.1-0.4 mM(20-25°C)
• 电导率: ≤20 μmho per cm at 24 °C (0.1 M aqueous solution)
• 胶束聚集数: 83

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (T); ≥99% (TLC); 97%
• 燃烧残渣: ≤0.1%
• 简要说明: zwitterionic
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.001%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.005%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• 痕量阴离子: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.05%
• Mol. Weight: micellar avg mol wt 30,200
• 线性分子式: CH3(CH2)13N+(CH3)2CH2CH2CH2SO3-

详细说明

Sigma Aldrich - T7763

Application
两性离子洗涤剂。

Sigma Aldrich - T0807

Application
两性离子洗涤剂。

Sigma Aldrich - 388823

Application
两性离子洗涤剂。

Sigma Aldrich - 40772

Application
两性离子洗涤剂。
Other Notes
Zwitterionic surfactant which effectively solubilises cardiac 5′-nucleotidase1; Micorsomal proteins2; H+-ATPase from corn roots3

Toronto Research Chemicals - T292500

A surfactant of the sulfobetaine class.