4-[4-(4-aminophenyl)phenyl]aniline

• ChemBase ID: 301982
• Molecular Formular: C18H16N2
• Molecular Mass: 260.33304
• Monoisotopic Mass: 260.13134852
• SMILES: c1cc(ccc1c1ccc(cc1)N)c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N
• InChI: InChI=1S/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2
• InChIKey: QBSMHWVGUPQNJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-aminophenyl)phenyl]aniline
• IUPAC Traditional name: 4-[4-(4-aminophenyl)phenyl]aniline
• Synonyms: 4,4''-Diamino-p-terphenyl; 4,4'-二氨基三联苯

Database IDs

• CAS Number: 3365-85-3
• MDL Number: MFCD00051532
• Beilstein Number: 2120295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5635881
• LogD (pH = 7.4): 3.6092453
• Log P: 3.6098447
• Molar Refractivity: 85.7312 cm^3
• Polarizability: 34.790146 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244-250°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-68
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08
• GHS Hazard statements: H301-H341
• GHS Precautionary statements: P281-P301+P310-P321-P308+P313-P405-P501A

Product Information

• Purity: 95%