2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-3-iodo-5-methylpyridine

• ChemBase编号: 50569
• 分子式: C17H29IN2OSi
• 平均质量: 432.41493
• 单一同位素质量: 432.10938809
• SMILES: c1(cnc(c(c1)I)N1CCC(C1)CO[Si](C(C)(C)C)(C)C)C
• Canonical SMILES: Cc1cnc(c(c1)I)N1CCC(C1)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C17H29IN2OSi/c1-13-9-15(18)16(19-10-13)20-8-7-14(11-20)12-21-22(5,6)17(2,3)4/h9-10,14H,7-8,11-12H2,1-6H3
• InChIKey: PJHJANDHAXJAJT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-3-iodo-5-methylpyridine
• IUPAC传统名: 2-(3-{[(tert-butyldimethylsilyl)oxy]methyl}pyrrolidin-1-yl)-3-iodo-5-methylpyridine
• 别名: 2-(3-[(tert-Butyldimethylsilyloxy)methyl]-pyrrolidin-1-yl)-3-iodo-5-methylpyridine; 2-(3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-3-iodo-5-methylpyridine; 2-(3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-3-iodo-5-methylpyridine

登记号

• CAS号: 1203499-22-2
• MDL号: MFCD13563053
• PubChem SID: 162055332
• PubChem CID: 46318115

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.1450024
• LogD (pH = 7.4): 5.341883
• Log P: 5.3451
• 摩尔折射率: 100.7375 cm^3
• 极化性: 40.532776 Å^3
• 极化表面积: 25.36 Å^2
• 可自由旋转的化学键: 5
• 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

• 纯度: 97%
• Empirical Formula (Hill Notation): C17H29IN2OSi

详细说明

Sigma Aldrich - ADE000757

Other Notes
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