2,5-dioxopyrrolidin-1-yl 2-phenoxyacetate

• ChemBase编号: 102683
• 分子式: C12H11NO5
• 平均质量: 249.21944
• 单一同位素质量: 249.06372246
• SMILES: O=C(COc1ccccc1)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)COc1ccccc1
• InChI: InChI=1S/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)8-17-9-4-2-1-3-5-9/h1-5H,6-8H2
• InChIKey: SMBVSRKAVRAVKU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 2-phenoxyacetate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 2-phenoxyacetate
• 别名: 苯氧基乙酸琥珀酰亚胺酯; 苯氧乙酸-N-羟基丁二酰亚胺酯; Succinimidyl phenoxyacetate; PHENOXYACETIC ACID N-HYDROXYSUCCINIMIDE ESTER; Phenoxyacetic acid N-hydroxysuccinimide ester

登记号

• CAS号: 38678-58-9
• MDL号: MFCD00057281
• PubChem SID: 162088495; 24898370
• PubChem CID: 190981

理论计算性质

• Acid pKa: 17.702316
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.6631432
• LogD (pH = 7.4): 0.6631432
• Log P: 0.6631432
• 摩尔折射率: 59.1596 cm^3
• 极化性: 23.483387 Å^3
• 极化表面积: 72.91 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 2-8°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 级别: PRACTICAL; practical grade
• 杂质: 10-20% Free N-hydroxysuccinimide

详细说明

MP Biomedicals - 02102607

Crystalline
Practical Grade
May contain 10-20% free N-hydroxysuccinimide