(2,6-dimethylpyridin-4-yl)methanol

• ChemBase编号: 64530
• 分子式: C8H11NO
• 平均质量: 137.17904
• 单一同位素质量: 137.08406398
• SMILES: n1c(cc(cc1C)CO)C
• Canonical SMILES: OCc1cc(C)nc(c1)C
• InChI: InChI=1S/C8H11NO/c1-6-3-8(5-10)4-7(2)9-6/h3-4,10H,5H2,1-2H3
• InChIKey: DLDGHMPQNVTNRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,6-dimethylpyridin-4-yl)methanol
• IUPAC传统名: (2,6-dimethylpyridin-4-yl)methanol
• 别名: (2,6-Dimethylpyridin-4-yl)methanol; 4-(Hydroxymethyl)-2,6-lutidine; 2,6-Dimethyl-4-(hydroxymethyl)pyridine; (2,6-Dimethylpyridin-4-yl)methanol

登记号

• CAS号: 18088-01-2
• MDL号: MFCD00956275
• PubChem SID: 162030269
• PubChem CID: 3825077

理论计算性质

• Acid pKa: 14.907982
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.6902674
• LogD (pH = 7.4): 0.20665035
• Log P: 0.25096396
• 摩尔折射率: 39.9 cm^3
• 极化性: 15.411676 Å^3
• 极化表面积: 33.12 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: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 96%