CAS No.76985-08-5,2-AMINO-3-BIPHENYL-4-YL-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76985-08-5
Name:	2-AMINO-3-BIPHENYL-4-YL-PROPIONIC ACID

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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Specification

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