(2-phenylcyclopropyl)benzene

• ChemBase ID: 302115
• Molecular Formular: C15H14
• Molecular Mass: 194.27166
• Monoisotopic Mass: 194.10955045
• SMILES: c1ccc(cc1)C1CC1c1ccccc1
• Canonical SMILES: C1C(C1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H14/c1-3-7-12(8-4-1)14-11-15(14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
• InChIKey: ZSIYTDQNAOYUNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylcyclopropyl)benzene
• IUPAC Traditional name: (2-phenylcyclopropyl)benzene
• Synonyms: 1,2-Diphenylcyclopropane, cis + trans; 1,2-二苯基环丙烷, cis + trans

Database IDs

• CAS Number: 29881-14-9
• MDL Number: MFCD00040875
• Beilstein Number: 2043299

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.175352
• LogD (pH = 7.4): 4.175352
• Log P: 4.175352
• Molar Refractivity: 63.0902 cm^3
• Polarizability: 24.669603 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 175-177°C/14mm
• Density: 1.020
• Refractive Index: 1.5950

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%