(2-methoxyethyl)[(2-methylphenyl)methyl]amine

• ChemBase编号: 312307
• 分子式: C11H17NO
• 平均质量: 179.25878
• 单一同位素质量: 179.13101417
• SMILES: c1(c(C)cccc1)CNCCOC
• Canonical SMILES: COCCNCc1ccccc1C
• InChI: InChI=1S/C11H17NO/c1-10-5-3-4-6-11(10)9-12-7-8-13-2/h3-6,12H,7-9H2,1-2H3
• InChIKey: NQMOIXUDYIQORO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methoxyethyl)[(2-methylphenyl)methyl]amine
• IUPAC传统名: (2-methoxyethyl)[(2-methylphenyl)methyl]amine
• 别名: (2-methoxyethyl)(2-methylbenzyl)amine

登记号

• CAS号: 892565-52-5
• MDL号: MFCD07408107

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.1032181
• LogD (pH = 7.4): 0.24588482
• Log P: 1.9980406
• 摩尔折射率: 55.3907 cm^3
• 极化性: 21.696857 Å^3
• 极化表面积: 21.26 Å^2