ol

• ChemBase编号: 162325
• 分子式: C10H16I2NO
• 平均质量: 420.04908
• 单一同位素质量: 419.93213514
• SMILES: C1(=C(C(N(C1(C)C)[O])(C)C)CI)CI
• Canonical SMILES: ICC1=C(CI)C(N(C1(C)C)[O])(C)C
• InChI: InChI=1S/C10H16I2NO/c1-9(2)7(5-11)8(6-12)10(3,4)13(9)14/h5-6H2,1-4H3
• InChIKey: YUJVXMGQJFEMBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ol
• IUPAC传统名: tyrosine(.)
• 别名: 3,4-Bis(iodomethyl)-2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy Radical

登记号

• PubChem SID: 162256460
• PubChem CID: 71314084

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1261632
• LogD (pH = 7.4): 3.1261632
• Log P: 3.1261632
• 摩尔折射率: 76.4797 cm^3
• 极化性: 30.144331 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - B448740

A bis-iodomethyl nitroxide compound. A highly reactive spin-label compound.