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

• ChemBase编号: 134240
• 分子式: C13H29NO3S
• 平均质量: 279.43926
• 单一同位素质量: 279.18681479
• SMILES: CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C
• InChI: InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
• InChIKey: QZRAABPTWGFNIU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate
• IUPAC传统名: 3-[dimethyl(octyl)ammonio]propane-1-sulfonate
• 别名: Octyl sulfobetaine; SB3-8; 3-(N,N-Dimethyloctylammonio)propanesulfonate inner salt; 3-(N,N-Dimethyloctylammonio)propanesulfonate solution; Detergent Screening Solution 44/Fluka kit no 66317; 3-(N,N-Dimethyloctylammonio)propanesulfonate 500 mM solution

登记号

• CAS号: 15178-76-4
• MDL号: MFCD00036912
• Beilstein号: 3962489
• PubChem SID: 162228517; 24898038
• PubChem CID: 3084219

理论计算性质

• Acid pKa: -0.80026555
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.23385796
• LogD (pH = 7.4): 0.23385817
• Log P: -1.7897431
• 摩尔折射率: 86.6093 cm^3
• 极化性: 30.647337 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 171-174 °C; 212-215 °C(lit.)
• 临界胶束浓度: 330 mM(20-25°C)
• 电导率: <20 μmho per cm at 24 °C (0.1 M aqueous solution)

安全信息

• 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-H317-H319; H315-H317-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95.0% (N)
• 级别: purum
• 简要说明: zwitterionic
• 杂质: ≤5% water
• 线性分子式: CH3(CH2)7N+(CH3)2CH2CH2CH2SO3-

详细说明

Sigma Aldrich - O6626

Application
Zwitterionic detergent; mild solubilizer of plasma membranes.

Sigma Aldrich - 40998

Other Notes
Zwitterionic detergent employed in capillary zone electrophoresis, CZE1