2,3-bis(benzyloxy)pyridine

• ChemBase编号: 51573
• 分子式: C19H17NO2
• 平均质量: 291.34378
• 单一同位素质量: 291.12592879
• SMILES: c1cnc(c(c1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1ncccc1OCc1ccccc1
• InChI: InChI=1S/C19H17NO2/c1-3-8-16(9-4-1)14-21-18-12-7-13-20-19(18)22-15-17-10-5-2-6-11-17/h1-13H,14-15H2
• InChIKey: FKBLXSTVQUPYIR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-bis(benzyloxy)pyridine
• IUPAC传统名: 2,3-bis(benzyloxy)pyridine
• 别名: 2,3-Bis(benzyloxy)pyridine; 2,3-Bis(benzyloxy)pyridine

登记号

• MDL号: MFCD15530270
• PubChem SID: 162056336
• PubChem CID: 18950229

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.4829907
• LogD (pH = 7.4): 4.4836264
• Log P: 4.4836345
• 摩尔折射率: 86.3662 cm^3
• 极化性: 33.675964 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 6
• 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%
• Empirical Formula (Hill Notation): C19H17NO2

详细说明

Sigma Aldrich - ADE000113

Other Notes
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