1-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethyl}-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase编号: 162337
• 分子式: C12H12N2O5
• 平均质量: 264.23408
• 单一同位素质量: 264.07462149
• SMILES: C(COCCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1CCOCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C12H12N2O5/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18/h1-4H,5-8H2
• InChIKey: VWGJOEJUQXVFPK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethyl}-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC传统名: 1-{2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl}pyrrole-2,5-dione
• 别名: 1,1'-[Oxybis(methylene)]bis-1H-pyrrole-2,5-dione; BMME; N,N'-(Oxydimethylene)bismaleimide; α,α'-(Bismaleimido)dimethyl Ether; Bis(maleimido)methyl Ether

登记号

• CAS号: 15209-14-0
• PubChem SID: 162256472
• PubChem CID: 14474488

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.0429542
• LogD (pH = 7.4): -1.0429542
• Log P: -1.0429542
• 摩尔折射率: 65.5707 cm^3
• 极化性: 24.31297 Å^3
• 极化表面积: 83.99 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Methanol
• 外观: Off-White Solid
• 熔点: 128-130°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - B476250

A short sulfhydryl reactive homobifunctional crosslinking reagent.

参考文献

• Wilson, J., et al.: J. Mol. Biol., 264, 743 (1996)