ethyl(hexadecyl)dimethylazanium bromide

• ChemBase编号: 105423
• 分子式: C20H44BrN
• 平均质量: 378.47406
• 单一同位素质量: 377.26571241
• SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](CC)(C)C.[Br-]
• InChI: InChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
• InChIKey: VUFOSBDICLTFMS-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: ethyl(hexadecyl)dimethylazanium bromide
• IUPAC传统名: ethyl(hexadecyl)dimethylazanium bromide
• 别名: 十六烷基二甲基乙基溴化铵; CETYLDIMETHYLETHYLAMMONIUM BROMIDE; Cetyldimethylethylammonium bromide; Dimethylethylhexadecylammonium bromide; Ethylhexadecyldimethylammonium bromide; Cetyl ethyl dimethylammonium bromide; Ethyl(1-hexadecyl)dimethylammonium bromide; N-Ethyl-N,N-dimethylhexadecan-1-aminium bromide; Hexadecyldimethylethylammonium bromide; CETYLDIMETHYL ETHYLAMMONIUM BROMIDE

登记号

• CAS号: 124-03-8
• EC号: 204-672-8
• MDL号: MFCD00011774
• Beilstein号: 3729134
• 默克索引号: 142029
• PubChem SID: 24892263; 24892776; 162092121
• PubChem CID: 31280

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.0433638
• LogD (pH = 7.4): 3.0433638
• Log P: 3.0433638
• 摩尔折射率: 109.7359 cm^3
• 极化性: 39.122406 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear, colorless
• 熔点: 190°C; ca 192°C dec.
• 闪点: 199.4 °F; 93 °C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: BQ5425000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; 22-36/38; R:22
• 安全公开号: 26-36; 26-36/37; S:36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319; H302-H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ~85%; ≥98% (non-aqueous titration); ≥98.0% (NT); 95+%; 99%
• 级别: purum
• 主要成分: C16, ~85% (balance stearyl (C18) homolog)
• 燃烧残渣: ≤0.1%
• 简要说明: cationic
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.005%; Pb: ≤0.001%; Zn: ≤0.0005%
• 痕量阴离子: sulfate (SO42-): ≤0.05%
• 线性分子式: [CH3(CH2)15N+(CH3)2CH2CH3]Br-

详细说明

MP Biomedicals - 02190176

Approx. 85% Cetyl (C₁₆ ); balance: Stearyl (C₁₈ ) homolog
Phase transfer catalyst.

MP Biomedicals - 05208248

MP Biomedicals Rare Chemical collection