11-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)undecanehydrazide

• ChemBase编号: 172499
• 分子式: C15H25N3O3
• 平均质量: 295.3773
• 单一同位素质量: 295.18959168
• SMILES: C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C15H25N3O3/c16-17-13(19)9-7-5-3-1-2-4-6-8-12-18-14(20)10-11-15(18)21/h10-11H,1-9,12,16H2,(H,17,19)
• InChIKey: WVGQCJDEFYSDJE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 11-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)undecanehydrazide
• IUPAC传统名: 11-(2,5-dioxopyrrol-1-yl)undecanehydrazide
• 别名: 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-undecanoic Acid Hydrazide; 11-Maleimidoundecanoic Acid Hydrazide

登记号

• CAS号: 359436-62-7
• PubChem SID: 164228409
• PubChem CID: 4438236

理论计算性质

• Acid pKa: 13.358329
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.5974393
• LogD (pH = 7.4): 1.5999601
• Log P: 1.5999928
• 摩尔折射率: 82.3004 cm^3
• 极化性: 31.32546 Å^3
• 极化表面积: 92.5 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Off-White Solid
• 熔点: 105-107°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - M151400

A sulfhydryl and carbonyl reactive heterobifunctional crosslinking reagent.Spacer Arm: 19.0 Angstroms