1-(piperidin-2-yl)ethan-1-ol

• ChemBase编号: 174076
• 分子式: C7H15NO
• 平均质量: 129.2001
• 单一同位素质量: 129.11536411
• SMILES: C1CNC(CC1)C(C)O
• Canonical SMILES: CC(C1CCCCN1)O
• InChI: InChI=1S/C7H15NO/c1-6(9)7-4-2-3-5-8-7/h6-9H,2-5H2,1H3
• InChIKey: GSPAVZIEDMALNO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(piperidin-2-yl)ethan-1-ol
• IUPAC传统名: 1-(piperidin-2-yl)ethanol
• 别名: 1-(2-Piperidyl)ethanol; 2-(1'-Hydroxyethyl)piperidine; Methyl(2-piperidyl)carbinol; NSC 346486; α-Methyl-2-piperidinemethanol; 1-(piperidin-2-yl)ethan-1-ol

登记号

• CAS号: 54160-32-6
• MDL号: MFCD17976979
• PubChem SID: 164229986
• PubChem CID: 335682

理论计算性质

• Acid pKa: 14.920996
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.7738004
• LogD (pH = 7.4): -2.0503678
• Log P: 0.44372773
• 摩尔折射率: 37.2167 cm^3
• 极化性: 15.038956 Å^3
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane
• 外观: Colorless Oil
• 疏水性(logP): 0.56

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - M324830

Can be used in the preparation of substances with herbicidal activity.