2-(4-ethoxyphenyl)propan-2-amine hydrochloride

• ChemBase编号: 143822
• 分子式: C11H18ClNO
• 平均质量: 215.71972
• 单一同位素质量: 215.10769188
• SMILES: CCOc1ccc(cc1)C(C)(C)N.Cl
• Canonical SMILES: CCOc1ccc(cc1)C(N)(C)C.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-4-13-10-7-5-9(6-8-10)11(2,3)12;/h5-8H,4,12H2,1-3H3;1H
• InChIKey: VNGIGROHYNDLSD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-ethoxyphenyl)propan-2-amine hydrochloride
• IUPAC传统名: 2-(4-ethoxyphenyl)propan-2-amine hydrochloride
• 别名: 2-(4-Ethoxyphenyl)propan-2-amine hydrochloride

登记号

• MDL号: MFCD11841275
• PubChem SID: 162238039
• PubChem CID: 45595318

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.0218242
• LogD (pH = 7.4): -0.43890932
• Log P: 1.9953027
• 摩尔折射率: 54.8002 cm^3
• 极化性: 21.758093 Å^3
• 极化表面积: 35.25 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): C11H18ClNO

详细说明

Sigma Aldrich - CBR00817

Other Notes
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