ethyl({2-[ethyl(methyl)amino]ethyl})methylamine

• ChemBase编号: 109979
• 分子式: C8H20N2
• 平均质量: 144.2578
• 单一同位素质量: 144.16264865
• SMILES: CCN(C)CCN(C)CC
• Canonical SMILES: CCN(CCN(CC)C)C
• InChI: InChI=1S/C8H20N2/c1-5-9(3)7-8-10(4)6-2/h5-8H2,1-4H3
• InChIKey: BWTBHGDNJBIYAQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl({2-[ethyl(methyl)amino]ethyl})methylamine
• IUPAC传统名: ethyl({2-[ethyl(methyl)amino]ethyl})methylamine
• 别名: N,N'-DIMETHYL-N,N'-DIETHYLETHYLENEDIAMINE

登记号

• PubChem SID: 162106365
• PubChem CID: 66942

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.859983
• LogD (pH = 7.4): -1.3495452
• Log P: 0.9224299
• 摩尔折射率: 47.5044 cm^3
• 极化性: 18.552586 Å^3
• 极化表面积: 6.48 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 - 05213271

MP Biomedicals Rare Chemical collection