4-methyl-N-(4-nitrophenyl)-N-phenylaniline

• ChemBase编号: 291741
• 分子式: C19H16N2O2
• 平均质量: 304.34254
• 单一同位素质量: 304.12117776
• SMILES: O=[N+](c1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1)[O-]
• Canonical SMILES: Cc1ccc(cc1)N(c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C19H16N2O2/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)18-11-13-19(14-12-18)21(22)23/h2-14H,1H3
• InChIKey: LUNSHOIFFSFPAG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-N-(4-nitrophenyl)-N-phenylaniline; N-(4-methylphenyl)-4-nitro-N-phenylaniline
• IUPAC传统名: 4-methyl-N-(4-nitrophenyl)-N-phenylaniline; N-(4-methylphenyl)-4-nitro-N-phenylaniline
• 别名: 4-methyl-n-(4-nitrophenyl)-n-phenylbenzenamine; 4-Methyl-N-(4-nitrophenyl)-N-phenylaniline

登记号

• CAS号: 894430-73-0
• MDL号: MFCD13194736
• PubChem SID: 180677272
• PubChem CID: 45108309

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.748212
• LogD (pH = 7.4): 5.748212
• Log P: 5.748212
• 摩尔折射率: 90.5802 cm^3
• 极化性: 34.269157 Å^3
• 极化表面积: 46.38 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 95+%; 98%