N-[(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)methylidene]hydroxylamine

• ChemBase编号: 44964
• 分子式: C15H22N2O3Si
• 平均质量: 306.43228
• 单一同位素质量: 306.13996911
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)/C=N/O
• Canonical SMILES: O/N=C/c1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C15H22N2O3Si/c1-15(2,3)21(4,5)19-10-12-7-13-14(20-12)6-11(8-16-13)9-17-18/h6-9,18H,10H2,1-5H3/b17-9+
• InChIKey: VPKWSHMFLOHATG-RQZCQDPDSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)methylidene]hydroxylamine; (E)-N-[(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)methylidene]hydroxylamine
• IUPAC传统名: N-[(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)methylidene]hydroxylamine; (E)-N-[(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)methylidene]hydroxylamine
• 别名: (E)-2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carbaldehyde oxime; (E)-2-((tert-Butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridine-6-carbaldehyde oxime; (E)-2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carbaldehyde oxime

登记号

• CAS号: 1189170-70-4
• MDL号: MFCD12922789
• PubChem SID: 162049727
• PubChem CID: 46737929

理论计算性质

• Acid pKa: 9.045178
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.841484
• LogD (pH = 7.4): 2.832127
• Log P: 2.8418
• 摩尔折射率: 79.3174 cm^3
• 极化性: 33.577675 Å^3
• 极化表面积: 67.85 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): C15H22N2O3Si

详细说明

Sigma Aldrich - ADE001169

Other Notes
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