4-methoxypyridine-2-carbohydrazide

• ChemBase编号: 21388
• 分子式: C7H9N3O2
• 平均质量: 167.16526
• 单一同位素质量: 167.06947654
• SMILES: c1cnc(cc1OC)C(=O)NN
• Canonical SMILES: COc1cc(ncc1)C(=O)NN
• InChI: InChI=1S/C7H9N3O2/c1-12-5-2-3-9-6(4-5)7(11)10-8/h2-4H,8H2,1H3,(H,10,11)
• InChIKey: YKICRDCJQXTGMJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methoxypyridine-2-carbohydrazide
• IUPAC传统名: 4-methoxypyridine-2-carbohydrazide
• 别名: 4-Methoxy-pyridine-2-carboxylic acid hydrazide; 4-Methoxy-pyridine-2-carboxylic acid hydrazide

登记号

• CAS号: 187973-18-8
• MDL号: MFCD07779513
• PubChem SID: 160984695
• PubChem CID: 10953912

理论计算性质

• Acid pKa: 13.61823
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.46269184
• LogD (pH = 7.4): -0.46209085
• Log P: -0.46208295
• 摩尔折射率: 43.5548 cm^3
• 极化性: 16.260914 Å^3
• 极化表面积: 77.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 157-159°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): C7H9N3O2

详细说明

Sigma Aldrich - ADE000342

Other Notes
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