4-[(2H4)pyridin-4-yl](2H4)pyridine

• ChemBase编号: 139686
• 分子式: C10H8N2
• 平均质量: 156.18392
• 单一同位素质量: 156.06874827
• SMILES: c1cnccc1c1ccncc1
• Canonical SMILES: n1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
• InChIKey: MWVTWFVJZLCBMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(^2H₄)pyridin-4-yl](^2H₄)pyridine
• IUPAC传统名: 4-[(^2H₄)pyridin-4-yl](^2H₄)pyridine
• 别名: 4,4′-联吡啶-d8; 4,4′-Bipyridyl-d8

登记号

• MDL号: MFCD01074250
• PubChem SID: 162233934; 24882125
• PubChem CID: 16217606

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.0022879
• LogD (pH = 7.4): 1.1823698
• Log P: 1.1851263
• 摩尔折射率: 46.8804 cm^3
• 极化性: 19.611677 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 111-114 °C(lit.)
• 质量偏移: M+8

产品相关信息

• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 164.08 by atom % calculation
• Empirical Formula (Hill Notation): C10D8N2

详细说明

Sigma Aldrich - 613606

包装
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