N-(2-bromo-5-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-3-yl)-2,2-dimethylpropanamide

• ChemBase编号: 44859
• 分子式: C17H29BrN2O2Si
• 平均质量: 401.41386
• 单一同位素质量: 400.11816671
• SMILES: c1(cnc(c(c1)NC(=O)C(C)(C)C)Br)CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: Brc1ncc(cc1NC(=O)C(C)(C)C)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C17H29BrN2O2Si/c1-16(2,3)15(21)20-13-9-12(10-19-14(13)18)11-22-23(7,8)17(4,5)6/h9-10H,11H2,1-8H3,(H,20,21)
• InChIKey: JWXIXHCQKKRIAJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-bromo-5-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-3-yl)-2,2-dimethylpropanamide
• IUPAC传统名: N-(2-bromo-5-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-3-yl)-2,2-dimethylpropanamide
• 别名: N-(2-Bromo-5-((tert-butyldimethylsilyloxy)methyl)-pyridin-3-yl)pivalamide; N-(2-Bromo-5-((tert-butyldimethylsilyloxy)methyl)pyridin-3-yl)pivalamide; N-(2-Bromo-5-((tert-butyldimethylsilyloxy)methyl)pyridin-3-yl)pivalamide

登记号

• MDL号: MFCD12401645
• PubChem SID: 162049622
• PubChem CID: 46737845

理论计算性质

• Acid pKa: 11.678696
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 5.133396
• LogD (pH = 7.4): 5.1333776
• Log P: 5.1334
• 摩尔折射率: 97.5955 cm^3
• 极化性: 39.160854 Å^3
• 极化表面积: 51.22 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C17H29BrN2O2Si

详细说明

Sigma Aldrich - ADE000647

Other Notes
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