6-(morpholin-4-yl)pyridine-3-carbaldehyde

• ChemBase编号: 41492
• 分子式: C10H12N2O2
• 平均质量: 192.21448
• 单一同位素质量: 192.08987763
• SMILES: c1(N2CCOCC2)ncc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H12N2O2/c13-8-9-1-2-10(11-7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2
• InChIKey: VZEANTSDLFVWCK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(morpholin-4-yl)pyridine-3-carbaldehyde
• IUPAC传统名: 6-(morpholin-4-yl)pyridine-3-carbaldehyde
• 别名: 6-(4-Morpholinyl)-3-pyridinecarboxaldehyde; 6-Morpholinylpyridine-3-carboxaldehyde; 6-(Morpholin-4-yl)pyridine-3-carboxaldehyde; 6-(Morpholin-4-yl)nicotinaldehyde; 6-Morpholinonicotinaldehyde

登记号

• CAS号: 173282-60-5
• MDL号: MFCD03659703
• PubChem SID: 162046255
• PubChem CID: 2776463

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.8094173
• LogD (pH = 7.4): 0.9499283
• Log P: 0.9520767
• 摩尔折射率: 54.3017 cm^3
• 极化性: 19.810684 Å^3
• 极化表面积: 42.43 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: 86 - 88 °C; 86-88°C

安全信息

• 保存注意事项: IRRITANT; Irritant/Store under Nitrogen
• TSCA收录: false

产品相关信息

• 纯度: >95%; 97%; 98%

详细说明

Toronto Research Chemicals - M723755

Used in the preparation of substituted benzamide derivatives and analogs for use as hematopoietic growth factor receptor activators.

参考文献

• Heerding, D., et al.: Bioorg. Med. Chem. Lett., 10, 531 (2000)
• Sellarajah, S., et al.: J. Med. Chem., 47, 5515 (2000)