{2-[4-(benzyloxy)-3-methoxyphenyl]ethyl}(methyl)amine hydrochloride

• ChemBase编号: 161793
• 分子式: C17H22ClNO2
• 平均质量: 307.81508
• 单一同位素质量: 307.13390663
• SMILES: c1(c(ccc(c1)CCNC)OCc1ccccc1)OC.Cl
• Canonical SMILES: CNCCc1ccc(c(c1)OC)OCc1ccccc1.Cl
• InChI: InChI=1S/C17H21NO2.ClH/c1-18-11-10-14-8-9-16(17(12-14)19-2)20-13-15-6-4-3-5-7-15;/h3-9,12,18H,10-11,13H2,1-2H3;1H
• InChIKey: IAPWNUJVKOZLNO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[4-(benzyloxy)-3-methoxyphenyl]ethyl}(methyl)amine hydrochloride
• IUPAC传统名: {2-[4-(benzyloxy)-3-methoxyphenyl]ethyl}(methyl)amine hydrochloride
• 别名: 3-Methoxy-N-methyl-4-(phenylmethoxy)benzeneethanamine Hydrochloride; N-Methy-4-benzyloxy-3-methoxyphenethylamine Hydrochloride; 4-Benzyloxy-3-methoxy-N-methylphenethylamine Hydrochloride

登记号

• CAS号: 35266-64-9
• PubChem SID: 162255928
• PubChem CID: 24213165

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.0074014734
• LogD (pH = 7.4): 0.6633823
• Log P: 3.2293863
• 摩尔折射率: 81.6 cm^3
• 极化性: 31.950735 Å^3
• 极化表面积: 30.49 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Ethyl Acetate; Methanol
• 外观: Pale Yellow Semi-Solid

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - B286385

A phenethylamine precursor.

参考文献

• Lundstrom, J., et al.: Acta Chem. Scand., 25, 3489 (1971)