3,3-Diphenyl-D-alanine supplier

Name
3,3-Diphenyl-D-alanine
EINECS
CAS No. 149597-91-1
Article Data2
CAS DataBase
Density 1.198g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅NO₂
Boiling Point 389.2 °C at 760 mmHg
Molecular Weight 241.29
Flash Point 189.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms b-Phenyl-D-phenylalanine;(R)-2-amino-3,3-diphenylpropanoic?acid;
PSA 63.32000
LogP 2.93070

3,3-Diphenyl-D-alanine Specification

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

Product Name

3,3-Diphenyl-D-alanine

3,3-Diphenyl-D-alanine Specification

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