1-(4-ethylphenyl)ethan-1-amine hydrochloride

• ChemBase编号: 143917
• 分子式: C10H16ClN
• 平均质量: 185.69374
• 单一同位素质量: 185.0971272
• SMILES: CCc1ccc(cc1)C(C)N.Cl
• Canonical SMILES: CCc1ccc(cc1)C(N)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-3-9-4-6-10(7-5-9)8(2)11;/h4-8H,3,11H2,1-2H3;1H
• InChIKey: VVCCRPRAEAGOHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-ethylphenyl)ethan-1-amine hydrochloride
• IUPAC传统名: 1-(4-ethylphenyl)ethanamine hydrochloride
• 别名: 1-(4-Ethylphenyl)ethanamine hydrochloride

登记号

• MDL号: MFCD18071215
• PubChem SID: 162238134
• PubChem CID: 53398852

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.5349417
• LogD (pH = 7.4): 0.1893444
• Log P: 2.4735794
• 摩尔折射率: 48.5924 cm^3
• 极化性: 19.207129 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H16ClN

详细说明

Sigma Aldrich - CBR00761

Other Notes
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