(4-chloro-4-methylpentyl)trimethylazanium iodide

• ChemBase编号: 83544
• 分子式: C9H21ClIN
• 平均质量: 305.62721
• 单一同位素质量: 305.04072536
• SMILES: [N+](CCCC(Cl)(C)C)(C)(C)C.[I-]
• Canonical SMILES: C[N+](CCCC(Cl)(C)C)(C)C.[I-]
• InChI: InChI=1S/C9H21ClN.HI/c1-9(2,10)7-6-8-11(3,4)5;/h6-8H2,1-5H3;1H/q+1;/p-1
• InChIKey: UQFCSWMXYJRHJK-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (4-chloro-4-methylpentyl)trimethylazanium iodide
• IUPAC传统名: (4-chloro-4-methylpentyl)trimethylazanium iodide
• 别名: (4-chloro-4-methylpentyl)(trimethyl)ammonium iodide

登记号

• MDL号: MFCD00102030
• PubChem SID: 162070661
• PubChem CID: 2780482

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.0332031
• LogD (pH = 7.4): -2.0332031
• Log P: -2.0332031
• 摩尔折射率: 63.812 cm^3
• 极化性: 20.585022 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true