benzyl(hexadecyl)dimethylazanium chloride

• ChemBase编号: 133737
• 分子式: C25H46ClN
• 平均质量: 396.09244
• 单一同位素质量: 395.33187816
• SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.[Cl-]
• InChI: InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
• InChIKey: SXPWTBGAZSPLHA-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: benzyl(hexadecyl)dimethylazanium chloride
• IUPAC传统名: benzyl(hexadecyl)dimethylazanium chloride
• 别名: 十六烷基二甲基苄基氯化铵; 十六烷基苄基二甲基氯化铵; 西他氯铵; 苄基十六烷基二甲基氯化铵; Benzylhexadecyldimethylammonium chloride; Cetalkonium chloride; Cetyldimethylbenzylammonium chloride; N-Hexadecyl-N,N-dimethylbenzenemethanaminium Chloride; Acetoquate CDAC; Acinol; Banicol; Bicetonium; Bonjela; CDBAC; Zettyn Chloride; Cetalkonium Chloride; 16-BAC; Benzyldimethylhexadecylammonium chloride; N-Benzyl-N,N-diMethylhexadecan-1-aMiniuM chloride

登记号

• CAS号: 122-18-9
• EC号: 204-526-3
• MDL号: MFCD00011625
• Beilstein号: 3802341
• PubChem SID: 24848126; 24891752; 162228014
• PubChem CID: 31202

理论计算性质

• Acid pKa: 18.109762
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.411029
• LogD (pH = 7.4): 4.411029
• Log P: 4.411029
• 摩尔折射率: 129.5999 cm^3
• 极化性: 46.908955 Å^3
• 极化表面积: 0.0 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: Chloroform; Methanol
• 外观: Off-White Solid
• 熔点: 54-56°C; 55-65 °C(lit.)

安全信息

• 保存条件: Refrigerator
• RTECS编号: BO6822450
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 环境危害性(Nature polluting) (N)
• 联合国危险货物编号: 3261
• 德国WGK号: 2
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 21/22-34-50
• 安全公开号: 26-36/37/39-45-61
• GHS危险品标识: GHS05; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H312-H314-H400
• GHS警示性声明: P273-P280-P305 + P351 + P338-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 3
• 保存温度: 2-8°C; room temp

产品相关信息

• 纯度: ≥97.0% (dried material, AT); 97%
• 简要说明: cationic
• 杂质: ≤9% water
• 线性分子式: CH3(CH2)15N(Cl)(CH3)2CH2C6H5

详细说明

Sigma Aldrich - B4136

包装
25, 100 g in poly bottle
Application
Benzyldimethylhexadecylammonium chloride (cetalkonium chloride) is used in 2-dimensional SDS gel electrophoresis1 and has been used to separate yeast mitochondrial membrane proteins.2 In conjunction with Cu2+, cetalkonium chloride demonstrated broad spectrum antimicrobial and antibiofilm (Pseudomonas aeruginosa) activity.3

Toronto Research Chemicals - C280500

Cationic quaternary ammonium surfactant germicide and fungicide. Used in leather processing, textile dyeing. A mildew preventive in silicone-based water repellents. Compatible with many nonionic detergents. Active in moderately alkaline solutions. Anti-in

参考文献

• Colbeau, A., et al.: J. Bacteriol., 144, 141 (1980)
• Lung, G., et al.: Biotechnol. Lett., 21, 869 (1980)
• Evvyernie, D., et al.: J. Biosci. Bioeng., 91, 339 (1980)