[1-(4-methoxyphenyl)ethyl](methyl)amine hydrochloride

• ChemBase编号: 143934
• 分子式: C10H16ClNO
• 平均质量: 201.69314
• 单一同位素质量: 201.09204182
• SMILES: CC(c1ccc(cc1)OC)NC.Cl
• Canonical SMILES: CNC(c1ccc(cc1)OC)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-8(11-2)9-4-6-10(12-3)7-5-9;/h4-8,11H,1-3H3;1H
• InChIKey: XZEIXLRGIVAJMR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(4-methoxyphenyl)ethyl](methyl)amine hydrochloride
• IUPAC传统名: [1-(4-methoxyphenyl)ethyl](methyl)amine hydrochloride
• 别名: 1-(4-Methoxyphenyl)-N-methylethanamine hydrochloride

登记号

• MDL号: MFCD11841229
• PubChem SID: 162238151
• PubChem CID: 45595273

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.4042537
• LogD (pH = 7.4): -0.4477749
• Log P: 1.7904984
• 摩尔折射率: 50.188 cm^3
• 极化性: 19.9124 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H16ClNO

详细说明

Sigma Aldrich - CBR00774

Other Notes
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