6-iodopyridin-2-amine

• ChemBase编号: 21386
• 分子式: C5H5IN2
• 平均质量: 220.01107
• 单一同位素质量: 219.94974617
• SMILES: Nc1cccc(n1)I
• Canonical SMILES: Nc1cccc(n1)I
• InChI: InChI=1S/C5H5IN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
• InChIKey: YGGUZZJLGAUOLQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-iodopyridin-2-amine
• IUPAC传统名: 6-iodopyridin-2-amine
• 别名: 6-Iodo-pyridin-2-ylamine; 6-Iodo-pyridin-2-ylamine

登记号

• CAS号: 88511-25-5
• MDL号: MFCD07779511
• PubChem SID: 160984693
• PubChem CID: 22281088

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.4793456
• LogD (pH = 7.4): 1.4825954
• Log P: 1.482637
• 摩尔折射率: 41.9856 cm^3
• 极化性: 15.913267 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 103-104°C

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): C5H5IN2

详细说明

Sigma Aldrich - ADE000340

Other Notes
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