1-[2-(naphthalen-1-yl)ethyl]naphthalene

• ChemBase ID: 295626
• Molecular Formular: C22H18
• Molecular Mass: 282.37832
• Monoisotopic Mass: 282.14085058
• SMILES: c1ccc2c(c1)cccc2CCc1cccc2c1cccc2
• Canonical SMILES: c1ccc2c(c1)c(ccc2)CCc1cccc2c1cccc2
• InChI: InChI=1S/C22H18/c1-3-13-21-17(7-1)9-5-11-19(21)15-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2
• InChIKey: OJGSITVFPMSVGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(naphthalen-1-yl)ethyl]naphthalene
• IUPAC Traditional name: 1-[2-(naphthalen-1-yl)ethyl]naphthalene
• Synonyms: 1,2-Di(1-naphthyl)ethane; 1,2-Bis(1-naphthyl)ethane; 1,2-二(1-萘基)乙烷

Database IDs

• CAS Number: 15374-45-5
• MDL Number: MFCD00037736
• PubChem SID: 180681157
• PubChem CID: 139929

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.488562
• LogD (pH = 7.4): 6.488562
• Log P: 6.488562
• Molar Refractivity: 93.2966 cm^3
• Polarizability: 38.892414 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 161-162°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%