2-(cyclopropylmethoxy)-3-(trimethylsilyl)pyridine

• ChemBase编号: 16204
• 分子式: C12H19NOSi
• 平均质量: 221.37086
• 单一同位素质量: 221.12359077
• SMILES: c1(c(cccn1)[Si](C)(C)C)OCC1CC1
• Canonical SMILES: C[Si](c1cccnc1OCC1CC1)(C)C
• InChI: InChI=1S/C12H19NOSi/c1-15(2,3)11-5-4-8-13-12(11)14-9-10-6-7-10/h4-5,8,10H,6-7,9H2,1-3H3
• InChIKey: SWMZBIJARDLLKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(cyclopropylmethoxy)-3-(trimethylsilyl)pyridine
• IUPAC传统名: 2-(cyclopropylmethoxy)-3-(trimethylsilyl)pyridine
• 别名: 2-Cyclopropylmethoxy-3-trimethylsilanyl-pyridine; 2-Cyclopropylmethoxy-3-trimethylsilanyl-pyridine

登记号

• CAS号: 782479-90-7
• MDL号: MFCD06659013
• PubChem SID: 160979511
• PubChem CID: 17998787

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.473903
• LogD (pH = 7.4): 3.475085
• Log P: 3.4751
• 摩尔折射率: 58.6834 cm^3
• 极化性: 25.204094 Å^3
• 极化表面积: 22.12 Å^2
• 可自由旋转的化学键: 4
• 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

• 纯度: 97%; 98%
• Empirical Formula (Hill Notation): C12H19NOSi

详细说明

Sigma Aldrich - ADE000307

Other Notes
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