2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde

• ChemBase编号: 312145
• 分子式: C15H21NO3
• 平均质量: 263.33214
• 单一同位素质量: 263.15214354
• SMILES: N1(CC(OC(C1)C)C)CCOc1c(C=O)cccc1
• Canonical SMILES: O=Cc1ccccc1OCCN1CC(C)OC(C1)C
• InChI: InChI=1S/C15H21NO3/c1-12-9-16(10-13(2)19-12)7-8-18-15-6-4-3-5-14(15)11-17/h3-6,11-13H,7-10H2,1-2H3
• InChIKey: MEFQSSDZWAILIF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde
• IUPAC传统名: 2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde
• 别名: 2-[2-(2,6-dimethyl-4-morpholinyl)ethoxy]benzaldehyde hydrochloride

登记号

• MDL号: MFCD08068149

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.2374586
• LogD (pH = 7.4): 2.1226373
• Log P: 2.161371
• 摩尔折射率: 75.0364 cm^3
• 极化性: 29.121334 Å^3
• 极化表面积: 38.77 Å^2