N-(3-hydroxypyridin-2-yl)acetamide

• ChemBase编号: 34610
• 分子式: C7H8N2O2
• 平均质量: 152.15062
• 单一同位素质量: 152.05857751
• SMILES: c1ccc(c(n1)NC(=O)C)O
• Canonical SMILES: CC(=O)Nc1ncccc1O
• InChI: InChI=1S/C7H8N2O2/c1-5(10)9-7-6(11)3-2-4-8-7/h2-4,11H,1H3,(H,8,9,10)
• InChIKey: RNNMBUAVVIZMMX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-hydroxypyridin-2-yl)acetamide
• IUPAC传统名: N-(3-hydroxypyridin-2-yl)acetamide
• 别名: N-(3-Hydroxypyridin-2-yl)acetamide; N-(3-Hydroxypyridin-2-yl)acetamide; N-(3-hydroxy-2-pyridinyl)acetamide

登记号

• CAS号: 31354-48-0
• MDL号: MFCD09757484
• PubChem SID: 160997917
• PubChem CID: 573434

理论计算性质

• Acid pKa: 8.047758
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.252362
• LogD (pH = 7.4): 0.19746317
• Log P: 0.28417596
• 摩尔折射率: 41.0585 cm^3
• 极化性: 14.9557295 Å^3
• 极化表面积: 62.22 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

• 纯度: 97%
• Empirical Formula (Hill Notation): C7H8N2O2

详细说明

Sigma Aldrich - ADE000678

Other Notes
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