4-[1-(4-aminophenyl)cyclohexyl]aniline

• ChemBase ID: 59152
• Molecular Formular: C18H22N2
• Molecular Mass: 266.38068
• Monoisotopic Mass: 266.17829871
• SMILES: C1CCCCC1(c1ccc(cc1)N)c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)N
• InChI: InChI=1S/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2
• InChIKey: ZSQIQUAKDNTQOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(4-aminophenyl)cyclohexyl]aniline
• IUPAC Traditional name: 4-[1-(4-aminophenyl)cyclohexyl]aniline
• Synonyms: {4-[1-(4-Aminophenyl)cyclohexyl]phenyl}amine; 4-[1-(4-aminophenyl)cyclohexyl]aniline

Database IDs

• CAS Number: 3282-99-3
• MDL Number: MFCD00035700
• PubChem SID: 162063915
• PubChem CID: 768325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.797449
• LogD (pH = 7.4): 3.8633466
• Log P: 3.8642342
• Molar Refractivity: 96.7149 cm^3
• Polarizability: 32.49953 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 3.866

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%