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CAS No.: | 76985-08-5 |
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Name: | 2-AMINO-3-BIPHENYL-4-YL-PROPIONIC ACID |
Molecular Structure: | |
Formula: | C15H15NO2 |
Molecular Weight: | 241.29 |
Synonyms: | [1,1'-Biphenyl]-4-propanoicacid, a-amino-, (?à)-;a-Amino-(1,1'-biphenyl)-4-propanoic acid; |
Density: | 1.19 g/cm3 |
Boiling Point: | 428.6 °C at 760 mmHg |
Flash Point: | 213 °C |
Appearance: | white crystalline powder |
PSA: | 63.32000 |
LogP: | 3.00830 |
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The DL-4,4'-Biphenylalanine, with CAS registry number 76985-08-5, has the systematic name of 2-amino-3-biphenyl-4-ylpropanoic acid (non-preferred name). Besides this, it is also called (RS)-2-Amino-3-(4-biphenyl)propionic acid. And the chemical formula of this chemical is C15H15NO2.
Physical properties of DL-4,4'-Biphenylalanine: (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)Polarizability: 27.78×10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Enthalpy of Vaporization: 72.08 kJ/mol; (19)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(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)
(3)InChIKey: JCZLABDVDPYLRZ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/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)
(5)Std. InChIKey: JCZLABDVDPYLRZ-UHFFFAOYSA-N