methyl({[2-(morpholin-4-yl)pyridin-4-yl]methyl})amine

• ChemBase编号: 88021
• 分子式: C11H17N3O
• 平均质量: 207.27218
• 单一同位素质量: 207.13716218
• SMILES: n1ccc(cc1N1CCOCC1)CNC
• Canonical SMILES: CNCc1ccnc(c1)N1CCOCC1
• InChI: InChI=1S/C11H17N3O/c1-12-9-10-2-3-13-11(8-10)14-4-6-15-7-5-14/h2-3,8,12H,4-7,9H2,1H3
• InChIKey: XXFBCDNRFJGAPO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[2-(morpholin-4-yl)pyridin-4-yl]methyl})amine
• IUPAC传统名: methyl({[2-(morpholin-4-yl)pyridin-4-yl]methyl})amine
• 别名: N-methyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]amine; N-Methyl-1-[2-(morpholin-4-yl)pyridin-4-yl]methylamine; 4-[(Methylamino)methyl]-2-morpholin-4-ylpyridine

登记号

• CAS号: 869901-11-1
• MDL号: MFCD08271916
• PubChem SID: 162075061
• PubChem CID: 7537571

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.371073
• LogD (pH = 7.4): -1.1686063
• Log P: 0.79792315
• 摩尔折射率: 60.9657 cm^3
• 极化性: 23.10162 Å^3
• 极化表面积: 37.39 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive

产品相关信息

• 纯度: 97%