4-octyl-N-(4-octylphenyl)aniline

• ChemBase ID: 109971
• Molecular Formular: C28H43N
• Molecular Mass: 393.64772
• Monoisotopic Mass: 393.33955038
• SMILES: CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1
• Canonical SMILES: CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC
• InChI: InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3
• InChIKey: QAPVYZRWKDXNDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-octyl-N-(4-octylphenyl)aniline
• IUPAC Traditional name: 4-octyl-N-(4-octylphenyl)aniline
• Synonyms: Bis(4-octylphenyl)amine; p,p'-DIOCTYLDIPHENYLAMINE

Database IDs

• CAS Number: 26603-23-6; 101-67-7
• EC Number: 247-839-0
• MDL Number: MFCD00048942
• PubChem SID: 162095695
• PubChem CID: 7569

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 10.663929
• LogD (pH = 7.4): 10.663975
• Log P: 10.663976
• Molar Refractivity: 129.0406 cm^3
• Polarizability: 50.52373 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 87°C

Product Information

• Purity: 95+%