N-methyl-N-[1-(pyridin-3-yl)propan-2-yl]-2-(trimethylsilyl)acetamide

• ChemBase编号: 173914
• 分子式: C14H24N2OSi
• 平均质量: 264.43866
• 单一同位素质量: 264.16578993
• SMILES: c1cncc(c1)CC(N(C(=O)C[Si](C)(C)C)C)C
• Canonical SMILES: CC(N(C(=O)C[Si](C)(C)C)C)Cc1cccnc1
• InChI: InChI=1S/C14H24N2OSi/c1-12(9-13-7-6-8-15-10-13)16(2)14(17)11-18(3,4)5/h6-8,10,12H,9,11H2,1-5H3
• InChIKey: WXWYGJZQMRUXOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-[1-(pyridin-3-yl)propan-2-yl]-2-(trimethylsilyl)acetamide
• IUPAC传统名: N-methyl-N-[1-(pyridin-3-yl)propan-2-yl]-2-(trimethylsilyl)acetamide
• 别名: N-Methyl-N-[1-methyl-2-(3-pyridyl)ethyl]-2-trimethylsilyl-acetamide; N-Methyl-N-[1-methyl-2-(3-pyridinyl)ethyl]-2-trimethylsilyl-acetamide

登记号

• PubChem SID: 164229824
• PubChem CID: 71750443

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.1566086
• LogD (pH = 7.4): 2.2476764
• Log P: 2.249
• 摩尔折射率: 71.6737 cm^3
• 极化性: 30.141651 Å^3
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Methanol
• 外观: Yellow Oil