1-N-cyclohexyl-4-N-phenylbenzene-1,4-diamine

• ChemBase ID: 111865
• Molecular Formular: C18H22N2
• Molecular Mass: 266.38068
• Monoisotopic Mass: 266.17829871
• SMILES: C1CCC(CC1)Nc1ccc(Nc2ccccc2)cc1
• Canonical SMILES: C1CCC(CC1)Nc1ccc(cc1)Nc1ccccc1
• InChI: InChI=1S/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2
• InChIKey: ZRMMVODKVLXCBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-cyclohexyl-4-N-phenylbenzene-1,4-diamine
• IUPAC Traditional name: 1-N-cyclohexyl-4-N-phenylbenzene-1,4-diamine
• Synonyms: N-PHENYL-N'-CYCLOHEXYL-p-PHENYLENEDIAMINE

Database IDs

• CAS Number: 101-87-1
• PubChem SID: 162098151
• PubChem CID: 92093

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.7239797
• LogD (pH = 7.4): 4.641896
• Log P: 4.6852202
• Molar Refractivity: 85.7522 cm^3
• Polarizability: 32.58211 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110°C