4-[6-(morpholin-4-yl)hexa-2,4-diyn-1-yl]morpholine

• ChemBase编号: 107611
• 分子式: C14H20N2O2
• 平均质量: 248.3208
• 单一同位素质量: 248.15247789
• SMILES: C1CN(CCO1)CC#CC#CCN1CCOCC1
• Canonical SMILES: O1CCN(CC1)CC#CC#CCN1CCOCC1
• InChI: InChI=1S/C14H20N2O2/c1(3-5-15-7-11-17-12-8-15)2-4-6-16-9-13-18-14-10-16/h5-14H2
• InChIKey: ZNXWKPCOJLBLFJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[6-(morpholin-4-yl)hexa-2,4-diyn-1-yl]morpholine
• IUPAC传统名: 4-[6-(morpholin-4-yl)hexa-2,4-diyn-1-yl]morpholine
• 别名: 1,6-DI-N,N'-MORPHOLINYL-2,4-HEXADIYNE

登记号

• PubChem SID: 162106059
• PubChem CID: 246674

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.099297196
• LogD (pH = 7.4): 0.70155585
• Log P: 0.7195011
• 摩尔折射率: 73.283 cm^3
• 极化性: 27.300852 Å^3
• 极化表面积: 24.94 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05204332

MP Biomedicals Rare Chemical collection