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CAS No.: | 149597-91-1 |
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Name: | 3,3-Diphenyl-D-alanine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C15H15NO2 |
Molecular Weight: | 241.29 |
Synonyms: | b-Phenyl-D-phenylalanine;(R)-2-amino-3,3-diphenylpropanoic?acid; |
Density: | 1.198g/cm3 |
Boiling Point: | 389.2 °C at 760 mmHg |
Flash Point: | 189.2 °C |
Hazard Symbols: | Xi |
PSA: | 63.32000 |
LogP: | 2.93070 |
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The D-Phenylalanine, b-phenyl-, with CAS registry number 149597-91-1, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Amino Acid Derivatives; (4)A-amino. It has the systematic name of β-phenyl-L-phenylalanine. This chemical should be stored at the temperature of 0°C.
Physical properties of D-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)Enthalpy of Vaporization: 67.35 kJ/mol; (19)Vapour Pressure: 9.35E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](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)/t14-/m0/s1
(3)InChIKey: PECGVEGMRUZOML-AWEZNQCLBU
(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)/t14-/m0/s1
(5)Std. InChIKey: PECGVEGMRUZOML-AWEZNQCLSA-N