[(4,5-dimethoxy-2-methylphenyl)methyl](methyl)amine hydrochloride

• ChemBase编号: 254646
• 分子式: C11H18ClNO2
• 平均质量: 231.71912
• 单一同位素质量: 231.1026065
• SMILES: c1(c(cc(c(c1)CNC)C)OC)OC.Cl
• Canonical SMILES: CNCc1cc(OC)c(cc1C)OC.Cl
• InChI: InChI=1S/C11H17NO2.ClH/c1-8-5-10(13-3)11(14-4)6-9(8)7-12-2;/h5-6,12H,7H2,1-4H3;1H
• InChIKey: GEHYDYFNVIXCPU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4,5-dimethoxy-2-methylphenyl)methyl](methyl)amine hydrochloride
• IUPAC传统名: [(4,5-dimethoxy-2-methylphenyl)methyl](methyl)amine hydrochloride
• 别名: [(4,5-dimethoxy-2-methylphenyl)methyl](methyl)amine hydrochloride

登记号

• MDL号: MFCD12912728
• PubChem SID: 164310556
• PubChem CID: 45791370

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.4400982
• LogD (pH = 7.4): -0.32875684
• Log P: 1.7296735
• 摩尔折射率: 57.2736 cm^3
• 极化性: 22.334208 Å^3
• 极化表面积: 30.49 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 170 - 172°C
• 疏水性(logP): 1.617

产品相关信息

• 纯度: 95%