2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine

• ChemBase编号: 308117
• 分子式: C10H23N3
• 平均质量: 185.30972
• 单一同位素质量: 185.18919775
• SMILES: N1(C(CN)(C)C)CCN(CC1)CC
• Canonical SMILES: CCN1CCN(CC1)C(CN)(C)C
• InChI: InChI=1S/C10H23N3/c1-4-12-5-7-13(8-6-12)10(2,3)9-11/h4-9,11H2,1-3H3
• InChIKey: QMKLDYLDJQCZNQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
• IUPAC传统名: 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
• 别名: 2-(4-ethyl-1-piperazinyl)-2-methyl-1-propanamine

登记号

• CAS号: 891643-94-0
• MDL号: MFCD05201609

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -5.444573
• LogD (pH = 7.4): -2.7402081
• Log P: 0.29426488
• 摩尔折射率: 57.7936 cm^3
• 极化性: 23.024387 Å^3
• 极化表面积: 32.5 Å^2