ethyl 2-({2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl}(2-ethoxy-2-oxoethyl)amino)acetate

• ChemBase编号: 168547
• 分子式: C18H32N2O8
• 平均质量: 404.45528
• 单一同位素质量: 404.21586599
• SMILES: N(CCN(CC(=O)OCC)CC(=O)OCC)(CC(=O)OCC)CC(=O)OCC
• Canonical SMILES: CCOC(=O)CN(CC(=O)OCC)CCN(CC(=O)OCC)CC(=O)OCC
• InChI: InChI=1S/C18H32N2O8/c1-5-25-15(21)11-19(12-16(22)26-6-2)9-10-20(13-17(23)27-7-3)14-18(24)28-8-4/h5-14H2,1-4H3
• InChIKey: BUKIENGEWNQURM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-({2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl}(2-ethoxy-2-oxoethyl)amino)acetate
• IUPAC传统名: ethyl 2-({2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl}(2-ethoxy-2-oxoethyl)amino)acetate
• 别名: N,N’-1,2-Ethanediylbis[N-(2-ethoxy-2-oxoethyl)-glycine 1,1'-Diethyl Ester; N,N’-1,2-Ethanediylbis[N-(2-ethoxy-2-oxoethyl)-glycine Diethyl Ester; NSC 93979; Ethylenediamine-N,N,N',N'-tetraacetic Acid Tetraethyl Ester

登记号

• CAS号: 3626-00-4
• PubChem SID: 162262679
• PubChem CID: 261554

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 0.09587197
• LogD (pH = 7.4): 0.13108732
• Log P: 0.13155526
• 摩尔折射率: 100.4164 cm^3
• 极化性: 40.136383 Å^3
• 极化表面积: 111.68 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Yellow Liquid

详细说明

Toronto Research Chemicals - E917755

Ethylenediamine-N,N,N’,N’-tetraacetic Acid (E917745) derivative. Chelating agent.