(1-phenylpropyl)benzene

• ChemBase ID: 302144
• Molecular Formular: C15H16
• Molecular Mass: 196.28754
• Monoisotopic Mass: 196.12520051
• SMILES: CCC(c1ccccc1)c1ccccc1
• Canonical SMILES: CCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H16/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
• InChIKey: BUZMJVBOGDBMGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylpropyl)benzene
• IUPAC Traditional name: 1,1-diphenylpropane
• Synonyms: 1,1-Diphenylpropane; 1,1-联苯基丙烷

Database IDs

• CAS Number: 1530-03-6
• EC Number: 216-222-8
• MDL Number: MFCD00041670
• Beilstein Number: 2044542

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7966275
• LogD (pH = 7.4): 4.7966275
• Log P: 4.7966275
• Molar Refractivity: 64.9448 cm^3
• Polarizability: 25.501652 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.995
• Refractive Index: 1.5640

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%