1,1,4,5-tetramethyl-1,2,3,6-tetrahydropyridin-1-ium iodide

• ChemBase编号: 83516
• 分子式: C9H18IN
• 平均质量: 267.15039
• 单一同位素质量: 267.04839758
• SMILES: [N+]1(CC(=C(CC1)C)C)(C)C.[I-]
• Canonical SMILES: CC1=C(C)C[N+](CC1)(C)C.[I-]
• InChI: InChI=1S/C9H18N.HI/c1-8-5-6-10(3,4)7-9(8)2;/h5-7H2,1-4H3;1H/q+1;/p-1
• InChIKey: GIKPWRYPZZAGFO-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1,1,4,5-tetramethyl-1,2,3,6-tetrahydropyridin-1-ium iodide
• IUPAC传统名: 1,1,3,4-tetramethyl-5,6-dihydro-2H-pyridin-1-ium iodide
• 别名: 1,1,4,5-tetramethyl-1,2,3,6-tetrahydropyridinium iodide

登记号

• MDL号: MFCD00101314
• PubChem SID: 162070634
• PubChem CID: 2780428

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.8410926
• LogD (pH = 7.4): -2.8410926
• Log P: -2.8410926
• 摩尔折射率: 57.5703 cm^3
• 极化性: 17.831026 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true