3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde

• ChemBase编号: 312151
• 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)CCOc1cc(C=O)ccc1
• Canonical SMILES: O=Cc1cccc(c1)OCCN1CC(C)OC(C1)C
• InChI: InChI=1S/C15H21NO3/c1-12-9-16(10-13(2)19-12)6-7-18-15-5-3-4-14(8-15)11-17/h3-5,8,11-13H,6-7,9-10H2,1-2H3
• InChIKey: QFOPVDKLMMOVFU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde
• IUPAC传统名: 3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde
• 别名: 3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzaldehyde hydrochloride

登记号

• MDL号: MFCD07363080

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.1625412
• LogD (pH = 7.4): 2.1147661
• Log P: 2.161371
• 摩尔折射率: 75.0364 cm^3
• 极化性: 29.119421 Å^3
• 极化表面积: 38.77 Å^2