2,5-dioxopyrrolidin-1-yl 1-methyl hexanedioate

• ChemBase编号: 174242
• 分子式: C11H15NO6
• 平均质量: 257.2399
• 单一同位素质量: 257.08993721
• SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCC(=O)OC
• Canonical SMILES: COC(=O)CCCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C11H15NO6/c1-17-10(15)4-2-3-5-11(16)18-12-8(13)6-7-9(12)14/h2-7H2,1H3
• InChIKey: ILDXDBSWYJDHAL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 1-methyl hexanedioate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 1-methyl hexanedioate
• 别名: 6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxo-hexanoic Acid Methyl Ester; Hexanedioic Acid 1-(2,5-Dioxo-1-pyrrolidinyl) 6-Methyl Ester; Methyl N-Succinimidyl Adipate

登记号

• CAS号: 118380-06-6
• PubChem SID: 164230152
• PubChem CID: 4458286

理论计算性质

• Acid pKa: 17.709124
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.0061338074
• LogD (pH = 7.4): 0.0061338074
• Log P: 0.0061338074
• 摩尔折射率: 58.0619 cm^3
• 极化性: 23.29661 Å^3
• 极化表面积: 89.98 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: White Solid
• 熔点: 35-38°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - M326100

A masked, amino reactive, heterobifunctional crosslinking reagent. Spacer Arm: 7.2 Angstroms