1-hexyl-4-[1-(4-hexylphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene

• ChemBase ID: 107189
• Molecular Formular: C24H34N2O
• Molecular Mass: 366.53956
• Monoisotopic Mass: 366.26711372
• SMILES: CCCCCCc1ccc(cc1)/N=[N+](\[O-])/c1ccc(CCCCCC)cc1
• Canonical SMILES: CCCCCCc1ccc(cc1)/N=[N+](/c1ccc(cc1)CCCCCC)\[O-]
• InChI: InChI=1S/C24H34N2O/c1-3-5-7-9-11-21-13-17-23(18-14-21)25-26(27)24-19-15-22(16-20-24)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3
• InChIKey: LRPHVKPAMBWIRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hexyl-4-[1-(4-hexylphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene
• IUPAC Traditional name: 1-hexyl-4-[1-(4-hexylphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene
• Synonyms: 4,4'-DIHEXYLAZOXYBENZENE

Database IDs

• CAS Number: 37592-68-4
• PubChem SID: 162094541
• PubChem CID: 142173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.382672
• LogD (pH = 7.4): 8.382672
• Log P: 8.382672
• Molar Refractivity: 117.2165 cm^3
• Polarizability: 44.016666 Å^3
• Polar Surface Area: 41.11 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05202875

MP Biomedicals Rare Chemical collection