3-(dodecyldimethylazaniumyl)propane-1-sulfonate

• ChemBase编号: 103628
• 分子式: C17H37NO3S
• 平均质量: 335.54558
• 单一同位素质量: 335.24941505
• SMILES: CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
• InChI: InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3
• InChIKey: IZWSFJTYBVKZNK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(dodecyldimethylazaniumyl)propane-1-sulfonate
• IUPAC传统名: 3-(dodecyldimethylammonio)propane-1-sulfonate; 3-(dodecyldimethylaminio)propane-1-sulfonate
• 别名: 3-磺丙基十二烷基二甲基甜菜碱 内盐; 月桂基二甲基磺基甜菜碱; 3-磺丙基十二烷基二甲基甜菜碱 内盐; Zwittergent® 3-12; N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate 30 mM solution; 3-(Dodecyldimethylammonio)propanesulfonate solution; Detergent Screening Solution 46/Fluka kit no 66317; N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate solution; SB3-12; N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate; Lauryl sulfobetaine; SB-12; 3-(N,N-Dimethyldodecylammonio)propanesulfonate; 3-(N,N-Dimethyllaurylammonio)propanesulfonate; 3-(Dodecyldimethylammonio)propanesulfonate; 3-(Lauryldimethylammonio)propanesulfonate; Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide inner salt; N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE; Dodecyldimethyl(3-sulfopropyl)ammonium hydroxide inner salt

登记号

• CAS号: 14933-08-5
• EC号: 239-002-3
• MDL号: MFCD00036909
• Beilstein号: 4145308
• PubChem SID: 162090909; 24893233; 24865074
• PubChem CID: 84703

理论计算性质

• Acid pKa: -0.80026555
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.0121326
• LogD (pH = 7.4): 2.012133
• Log P: -0.011468371
• 摩尔折射率: 105.0133 cm^3
• 极化性: 38.00416 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 15
• 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
• 熔点: 245-247 °C(lit.); 245-247°C
• 闪点: 110 °C; 230 °F
• 临界胶束浓度: 2-4 mM(20-25°C)
• 电导率: <20 μmho per cm at 24 °C (0.1 M aqueous solution)
• 胶束聚集数: 55

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1; 2
• 危险公开号: 20/21/22-36/37/38
• 安全公开号: 22-24/25-26-36/37/39
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H302-H312-H315-H318-H332-H335; H302-H312-H315-H319-H332-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (dried material, CHN); ≥98% (TLC); 98%
• 浓度: 30 mM
• 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: ≤0.002%; Ca: ≤20 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; K: ≤0.005%; K: ≤50 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤0.005%; Na: ≤150 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.05%
• 干燥失重: ≤1% loss on drying, 110 °C
• Mol. Weight: micellar avg mol wt 18,500
• 线性分子式: CH3(CH2)11N(CH3)2[(CH2)3SO3]; CH3(CH2)11N+(CH3)2CH2CH2CH2SO3-

详细说明

Sigma Aldrich - 40232

Application
Zwitterionic detergent used for protein solubilization
Other Notes
Zwitterionic surfactant which effectively solubilises cardiac 5'-nucleotidase1

Sigma Aldrich - D0431

Application
Zwitterionic detergent used for protein solubilization

Sigma Aldrich - D4516

Application
Zwitterionic detergent used for protein solubilization

Sigma Aldrich - 335967

包装
25 g in glass bottle

Sigma Aldrich - 16974

法律信息
Zwittergent is a registered trademark of EMD BioScience, Inc.

参考文献

• Gonenne, A. and Ernst, R., Anal. Biochem., 87: 28 (1978).