CAS No.62653-26-3,2-AMINO-3,3-DIPHENYL-PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62653-26-3
Name:	2-AMINO-3,3-DIPHENYL-PROPIONIC ACID
Article Data:	2

Formula:	C₁₅H₁₅NO₂
Molecular Weight:	241.29
Synonyms:	Alanine,3,3-diphenyl- (6CI,7CI);NSC 13903;
Density:	1.198g/cm³
Melting Point:	236 °C (decomp)
Boiling Point:	389.2 °C at 760 mmHg
Flash Point:	189.2 °C
PSA:	63.32000
LogP:	2.93070

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Specification

The Phenylalanine, b-phenyl-, with CAS registry number 62653-26-3, has the systematic name of β-phenylphenylalanine. Besides this, it is also called 2-Amino-3,3-diphenyl-propionic acid. This chemical should stored at the room temperature. And the chemical formula of this chemical is C₁₅H₁₅NO₂.

Physical properties of Phenylalanine, b-phenyl-: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.72; (8)ACD/KOC (pH 7.4): 2.61; (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: 1.611; (14)Molar Refractivity: 69.89 cm³; (15)Molar Volume: 201.2 cm³; (16)Polarizability: 27.7×10^-24cm³; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.198 g/cm³; (19)Flash Point: 189.2 °C; (20)Enthalpy of Vaporization: 67.35 kJ/mol; (21)Boiling Point: 389.2 °C at 760 mmHg; (22)Vapour Pressure: 9.35E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-benzhydryl-imidazolidine-2,4-dione. This reaction will need reagents NaOH, hydrochloric acid and solvent H₂O. The reaction time is 18 hour(s). The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)
(3)InChIKey: PECGVEGMRUZOML-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)
(5)Std. InChIKey: PECGVEGMRUZOML-UHFFFAOYSA-N