(1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine

• ChemBase编号: 310908
• 分子式: C14H23NO4
• 平均质量: 269.33672
• 单一同位素质量: 269.16270822
• SMILES: c1(c(c(CNC(COC)C)ccc1OC)OC)OC
• Canonical SMILES: COCC(NCc1ccc(c(c1OC)OC)OC)C
• InChI: InChI=1S/C14H23NO4/c1-10(9-16-2)15-8-11-6-7-12(17-3)14(19-5)13(11)18-4/h6-7,10,15H,8-9H2,1-5H3
• InChIKey: CTAIAXZIQQOWFD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine
• IUPAC传统名: (1-methoxypropan-2-yl)[(2,3,4-trimethoxyphenyl)methyl]amine
• 别名: (2-methoxy-1-methylethyl)(2,3,4-trimethoxybenzyl)amine

登记号

• CAS号: 356094-07-0
• MDL号: MFCD01468868

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -1.3096304
• LogD (pH = 7.4): 0.38911393
• Log P: 1.4281803
• 摩尔折射率: 74.1579 cm^3
• 极化性: 29.311213 Å^3
• 极化表面积: 48.95 Å^2