prop-2-en-1-yl 4-[(methylamino)methyl]piperidine-1-carboxylate

• ChemBase编号: 811110
• 分子式: C11H20N2O2
• 平均质量: 212.2887
• 单一同位素质量: 212.15247789
• SMILES: C1(CCN(CC1)C(=O)OCC=C)CNC
• Canonical SMILES: CNCC1CCN(CC1)C(=O)OCC=C
• InChI: InChI=1S/C11H20N2O2/c1-3-8-15-11(14)13-6-4-10(5-7-13)9-12-2/h3,10,12H,1,4-9H2,2H3
• InChIKey: BGUIUWPKCZAMNB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: prop-2-en-1-yl 4-[(methylamino)methyl]piperidine-1-carboxylate
• IUPAC传统名: prop-2-en-1-yl 4-[(methylamino)methyl]piperidine-1-carboxylate
• 别名: 4-METHYLAMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER

登记号

• CAS号: 886365-58-8

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.3598027
• LogD (pH = 7.4): -1.9082668
• Log P: 0.8719637
• 摩尔折射率: 60.02 cm^3
• 极化性: 23.448618 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%