tert-butyl N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}carbamate

• ChemBase编号: 50660
• 分子式: C16H24N2O3Si
• 平均质量: 320.45886
• 单一同位素质量: 320.15561917
• SMILES: c1c(cc2c(n1)cc(o2)[Si](C)(C)C)CNC(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCc1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C16H24N2O3Si/c1-16(2,3)21-15(19)18-10-11-7-13-12(17-9-11)8-14(20-13)22(4,5)6/h7-9H,10H2,1-6H3,(H,18,19)
• InChIKey: LKWDGCJFTLMBOF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}carbamate
• IUPAC传统名: tert-butyl N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}carbamate
• 别名: tert-Butyl (2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl)methylcarbamate; tert-Butyl (2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl)methylcarbamate

登记号

• CAS号: 1188996-58-8
• MDL号: MFCD13176661
• PubChem SID: 162055423
• PubChem CID: 46318205

理论计算性质

• Acid pKa: 14.133059
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.3419874
• LogD (pH = 7.4): 3.3427896
• Log P: 3.3428
• 摩尔折射率: 81.0335 cm^3
• 极化性: 35.219543 Å^3
• 极化表面积: 64.36 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

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): C16H24N2O3Si

详细说明

Sigma Aldrich - ADE001199

Other Notes
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