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CAS No.: | 149597-92-2 |
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Name: | 3,3-Diphenyl-L-alanine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C15H15NO2 |
Molecular Weight: | 241.29 |
Synonyms: | L-3,3-Diphenylalanine;b-Phenyl-L-phenylalanine;β-phenyl-L-phenylalanine;(2S)-2-Amino-3,3-diphenylpropanoic acid; |
Density: | 1.198 g/cm3 |
Melting Point: | 210-213oC |
Boiling Point: | 389.2 °C at 760 mmHg |
Flash Point: | 189.2 °C |
Appearance: | White powder |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 63.32000 |
LogP: | 2.93070 |
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The L-3,3-Diphenylalanine, with the CAS registry number 149597-92-2, has the systematic name of β-phenyl-L-phenylalanine. And the molecular formula of this chemical is C15H15NO2. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; Peptide; α-amino. What's more, it should be stored at 0°C.
The physical properties of L-3,3-Diphenylalanine are as following: (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.
You should be cautious while dealing with this chemical. It is toxic if swallowed. Therefore,in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
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