ethyl[2-(3-methoxyphenoxy)ethyl]amine

• ChemBase编号: 312666
• 分子式: C11H17NO2
• 平均质量: 195.25818
• 单一同位素质量: 195.12592879
• SMILES: c1c(OC)cccc1OCCNCC
• Canonical SMILES: CCNCCOc1cccc(c1)OC
• InChI: InChI=1S/C11H17NO2/c1-3-12-7-8-14-11-6-4-5-10(9-11)13-2/h4-6,9,12H,3,7-8H2,1-2H3
• InChIKey: CDRKZAFQUWLOIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl[2-(3-methoxyphenoxy)ethyl]amine
• IUPAC传统名: ethyl[2-(3-methoxyphenoxy)ethyl]amine
• 别名: N-ethyl-2-(3-methoxyphenoxy)ethanamine

登记号

• CAS号: 915923-69-2
• MDL号: MFCD08691997

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.5333116
• LogD (pH = 7.4): -0.4997014
• Log P: 1.6503078
• 摩尔折射率: 56.4574 cm^3
• 极化性: 22.415548 Å^3
• 极化表面积: 30.49 Å^2