1-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase编号: 156077
• 分子式: C17H11N3O2
• 平均质量: 289.28814
• 单一同位素质量: 289.08512661
• SMILES: c1ccc2c(c1)[nH]c(n2)c1ccc(cc1)N1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(cc1)c1nc2c([nH]1)cccc2
• InChI: InChI=1S/C17H11N3O2/c21-15-9-10-16(22)20(15)12-7-5-11(6-8-12)17-18-13-3-1-2-4-14(13)19-17/h1-10H,(H,18,19)
• InChIKey: NZDOXVCRXDAVII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC传统名: 1-[4-(1H-1,3-benzodiazol-2-yl)phenyl]pyrrole-2,5-dione
• 别名: BIPM; N-[4-(2-Benzimidazolyl)phenyl]maleimide

登记号

• CAS号: 27030-97-3
• EC号: 248-173-3
• MDL号: MFCD00042767
• Beilstein号: 755407
• PubChem SID: 162250215; 24847500
• PubChem CID: 117909

理论计算性质

• Acid pKa: 11.490391
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.406802
• LogD (pH = 7.4): 2.5544443
• Log P: 2.55676
• 摩尔折射率: 92.0378 cm^3
• 极化性: 32.58289 Å^3
• 极化表面积: 66.06 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 荧光: λex 315 nm; λem 365 nm (after derivatization with 2-mercaptoethanol)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (HPLC)
• 适用性: suitable for fluorescence
• Empirical Formula (Hill Notation): C17H11N3O2

详细说明

Sigma Aldrich - 12266

Other Notes
Fluorescent probe in proteins, used for microfluorometry of thiol compounds (detection limit: 10-6 m thiol conc.)1; Review2,3
包装
1 mg in poly bottle