1-(6-methoxynaphthalen-2-yl)ethan-1-amine hydrochloride

• ChemBase编号: 143966
• 分子式: C13H16ClNO
• 平均质量: 237.72524
• 单一同位素质量: 237.09204182
• SMILES: CC(c1ccc2cc(ccc2c1)OC)N.Cl
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(N)C.Cl
• InChI: InChI=1S/C13H15NO.ClH/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10;/h3-9H,14H2,1-2H3;1H
• InChIKey: IUQPLZORRBTNOM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(6-methoxynaphthalen-2-yl)ethan-1-amine hydrochloride
• IUPAC传统名: 1-(6-methoxynaphthalen-2-yl)ethanamine hydrochloride
• 别名: 1-(6-Methoxy-2-naphthyl)ethanamine hydrochloride

登记号

• MDL号: MFCD11841222
• PubChem SID: 162238183
• PubChem CID: 45595268

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.6555773
• LogD (pH = 7.4): 0.13903663
• Log P: 2.3473947
• 摩尔折射率: 61.8636 cm^3
• 极化性: 25.663422 Å^3
• 极化表面积: 35.25 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): C13H16ClNO

详细说明

Sigma Aldrich - CBR00766

Other Notes
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