3-methyl-6-(trimethylsilyl)-3H-imidazo[4,5-b]pyridine

• ChemBase编号: 44984
• 分子式: C10H15N3Si
• 平均质量: 205.3317
• 单一同位素质量: 205.10352403
• SMILES: c1(cnc2c(c1)ncn2C)[Si](C)(C)C
• Canonical SMILES: Cn1cnc2c1ncc(c2)[Si](C)(C)C
• InChI: InChI=1S/C10H15N3Si/c1-13-7-12-9-5-8(14(2,3)4)6-11-10(9)13/h5-7H,1-4H3
• InChIKey: WDQCEVJQYHRSSP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methyl-6-(trimethylsilyl)-3H-imidazo[4,5-b]pyridine
• IUPAC传统名: 3-methyl-6-(trimethylsilyl)imidazo[4,5-b]pyridine
• 别名: 3-Methyl-6-(trimethylsilyl)-3H-imidazo[4,5-b]pyridine; 3-Methyl-6-(trimethylsilyl)-3H-imidazo[4,5-b]pyridine

登记号

• CAS号: 1171920-66-3
• MDL号: MFCD12401665
• PubChem SID: 162049747
• PubChem CID: 46737954

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.1946843
• LogD (pH = 7.4): 2.1952922
• Log P: 2.1953
• 摩尔折射率: 53.7245 cm^3
• 极化性: 23.310394 Å^3
• 极化表面积: 30.71 Å^2
• 可自由旋转的化学键: 1
• 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): C10H15N3Si

详细说明

Sigma Aldrich - ADE001219

Other Notes
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