(6-bromohexyl)trihexylazanium bromide

• ChemBase编号: 162923
• 分子式: C24H51Br2N
• 平均质量: 513.47644
• 单一同位素质量: 511.23882464
• SMILES: [N+](CCCCCC)(CCCCCC)(CCCCCC)CCCCCCBr.[Br-]
• Canonical SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCBr.[Br-]
• InChI: InChI=1S/C24H51BrN.BrH/c1-4-7-10-16-21-26(22-17-11-8-5-2,23-18-12-9-6-3)24-19-14-13-15-20-25;/h4-24H2,1-3H3;1H/q+1;/p-1
• InChIKey: MUAJRVLCSYKEPJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (6-bromohexyl)trihexylazanium bromide
• IUPAC传统名: (6-bromohexyl)trihexylazanium bromide
• 别名: 6-Bromo-(trihexylammonium)hexyl Bromide

登记号

• PubChem SID: 162257058
• PubChem CID: 57369209

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.9833865
• LogD (pH = 7.4): 4.9833865
• Log P: 4.9833865
• 摩尔折射率: 136.1673 cm^3
• 极化性: 48.93858 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Brown Liquid

详细说明

Toronto Research Chemicals - B688400

Intermediate in the preparation of MTS reagents