2-(naphthalen-1-yl)propan-2-amine hydrochloride

• ChemBase编号: 143715
• 分子式: C13H16ClN
• 平均质量: 221.72584
• 单一同位素质量: 221.0971272
• SMILES: CC(C)(c1cccc2c1cccc2)N.Cl
• Canonical SMILES: CC(c1cccc2c1cccc2)(N)C.Cl
• InChI: InChI=1S/C13H15N.ClH/c1-13(2,14)12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,14H2,1-2H3;1H
• InChIKey: ZOXOBTGYOUSMIA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(naphthalen-1-yl)propan-2-amine hydrochloride
• IUPAC传统名: 2-(naphthalen-1-yl)propan-2-amine hydrochloride
• 别名: 2-(1-Naphthyl)propan-2-amine hydrochloride

登记号

• MDL号: MFCD11841274
• PubChem SID: 162237932
• PubChem CID: 45595317

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.23653756
• LogD (pH = 7.4): 0.23282291
• Log P: 2.7856426
• 摩尔折射率: 60.0386 cm^3
• 极化性: 25.085934 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C13H16ClN

详细说明

Sigma Aldrich - CBR00816

Other Notes
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