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

• ChemBase编号: 143712
• 分子式: C13H24ClN
• 平均质量: 229.78936
• 单一同位素质量: 229.15972745
• SMILES: CC(C)(C12CC3CC(C1)CC(C3)C2)N.Cl
• Canonical SMILES: CC(C12CC3CC(C2)CC(C1)C3)(N)C.Cl
• InChI: InChI=1S/C13H23N.ClH/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,3-8,14H2,1-2H3;1H
• InChIKey: KUCVKLQGFFSMAY-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD02208075
• PubChem SID: 162237929
• PubChem CID: 53398909

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.52948886
• LogD (pH = 7.4): -0.21075866
• Log P: 2.4975824
• 摩尔折射率: 59.1603 cm^3
• 极化性: 24.043682 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): C13H24ClN

详细说明

Sigma Aldrich - CBR00940

Other Notes
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