2,6-dimethyl-1,8-naphthyridine

• ChemBase编号: 50600
• 分子式: C10H10N2
• 平均质量: 158.1998
• 单一同位素质量: 158.08439833
• SMILES: c1(cnc2c(c1)ccc(n2)C)C
• Canonical SMILES: Cc1cnc2c(c1)ccc(n2)C
• InChI: InChI=1S/C10H10N2/c1-7-5-9-4-3-8(2)12-10(9)11-6-7/h3-6H,1-2H3
• InChIKey: DMHYFUIQTGCNJS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-dimethyl-1,8-naphthyridine
• IUPAC传统名: 2,6-dimethyl-1,8-naphthyridine
• 别名: 2,6-Dimethyl-1,8-naphthyridine; 2,6-Dimethyl-1,8-naphthyridine

登记号

• CAS号: 14757-45-0
• MDL号: MFCD13563078
• PubChem SID: 162055363
• PubChem CID: 594110

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.8829722
• LogD (pH = 7.4): 1.8830235
• Log P: 1.8830242
• 摩尔折射率: 49.0279 cm^3
• 极化性: 18.931374 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 0
• 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): C10H10N2

详细说明

Sigma Aldrich - ADE000845

Other Notes
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