2-(morpholin-4-yl)-2-(pyridin-4-yl)ethan-1-amine

• ChemBase编号: 310443
• 分子式: C11H17N3O
• 平均质量: 207.27218
• 单一同位素质量: 207.13716218
• SMILES: N1(C(c2ccncc2)CN)CCOCC1
• Canonical SMILES: NCC(c1ccncc1)N1CCOCC1
• InChI: InChI=1S/C11H17N3O/c12-9-11(10-1-3-13-4-2-10)14-5-7-15-8-6-14/h1-4,11H,5-9,12H2
• InChIKey: MGDRJYDNZSUSDD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(morpholin-4-yl)-2-(pyridin-4-yl)ethan-1-amine
• IUPAC传统名: 2-(morpholin-4-yl)-2-(pyridin-4-yl)ethanamine
• 别名: (2-morpholin-4-yl-2-pyridin-4-ylethyl)amine

登记号

• CAS号: 518066-36-9
• MDL号: MFCD09055387

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -3.1914558
• LogD (pH = 7.4): -1.7579887
• Log P: -0.25874704
• 摩尔折射率: 59.1383 cm^3
• 极化性: 23.490168 Å^3
• 极化表面积: 51.38 Å^2