1-[4-(benzyloxy)phenyl]-2-phenylhydrazine

• ChemBase编号: 176611
• 分子式: C19H18N2O
• 平均质量: 290.35902
• 单一同位素质量: 290.14191321
• SMILES: c1cccc(c1)NNc1ccc(cc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)NNc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C19H18N2O/c1-3-7-16(8-4-1)15-22-19-13-11-18(12-14-19)21-20-17-9-5-2-6-10-17/h1-14,20-21H,15H2
• InChIKey: DQCPCVSZUQXIDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[4-(benzyloxy)phenyl]-2-phenylhydrazine
• IUPAC传统名: 1-[4-(benzyloxy)phenyl]-2-phenylhydrazine
• 别名: 4-(Benzyloxy)-hydrazobenzene; p-(Benzyloxy)hydrazobenzene; 1-Phenyl-2-[4-(phenylmethoxy)phenyl]hydrazine

登记号

• CAS号: 93942-75-7
• PubChem SID: 164232521
• PubChem CID: 3023040

理论计算性质

• Acid pKa: 19.232792
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 5.330369
• LogD (pH = 7.4): 5.330369
• Log P: 5.330369
• 摩尔折射率: 92.037 cm^3
• 极化性: 34.34851 Å^3
• 极化表面积: 33.29 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane
• 外观: Yellow Solid

详细说明

Toronto Research Chemicals - P335950

Intermediate in the preparation of Oxyphenbutazone.