L-4,4'-BIPHENYLALANINE

The L-4,4'-Biphenylalanine, with the CAS registry number 155760-02-4, is also known as 4-Phenyl-L-phenyalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids; Chiral Compound; A-Amino. This chemical's molecular formula is C₁₅H₁₅NO₂ and molecular weight is 241.29. What's more, both its IUPAC name and systematic name are the same which is called (2S)-2-Amino-3-(4-phenylphenyl)propanoic acid. When you are dealing with this chemical, you should be very careful. It may cause inflammation to the skin or other mucous membranes. This chemical is white fine crystals.

Physical properties about L-4,4'-Biphenylalanine are: (1) ACD/LogP: 2.87; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.37; (4) ACD/LogD (pH 7.4): 0.36; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 2.75; (8) ACD/KOC (pH 7.4): 2.71; (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 29.54 Å²; (13) Index of Refraction: 1.607; (14) Molar Refractivity: 70.08 cm³; (15) Molar Volume: 202.7 cm³; (16) Surface Tension: 52.3 dyne/cm; (17) Density: 1.19 g/cm³; (18) Flash Point: 213 °C; (19) Enthalpy of Vaporization: 72.08 kJ/mol; (20) Boiling Point: 428.6 °C at 760 mmHg; (21) Vapour Pressure: 4.15E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)Cc1ccc(cc1)c2ccccc2
(2) InChI: InChI=1/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1
(3) InChIKey: JCZLABDVDPYLRZ-AWEZNQCLBM