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D-Phenylalanine, N-benzoyl-

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Name

D-Phenylalanine, N-benzoyl-

EINECS N/A
CAS No. 37002-52-1 Density 1.232 g/cm3
PSA 66.40000 LogP 2.50320
Solubility N/A Melting Point N/A
Formula C16H15NO3 Boiling Point 532 °C at 760 mmHg
Molecular Weight 269.3 Flash Point 275.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 37002-52-1 (BENZOYL-D-PHE-OH) Hazard Symbols N/A
Synonyms

N-Benzoyl-D-phenylalanine;D-N-Benzoylphenylalanine;D-Bz-Phenylalanine;(R)-N-Benzoylphenylalanine;(R)-2-Benzoylamino-3-phenylpropanoicacid;

Article Data 118

D-Phenylalanine, N-benzoyl- Specification

This chemical is called D-Phenylalanine, N-benzoyl-, and its CAS registry number is 37002-52-1. With the molecular formula of C16H15NO3, its molecular weight is 269.30. Additionally, its product categories are Amino Acid Derivatives; Amino Acids.

Other characteristics of the D-Phenylalanine, N-benzoyl- can be summarised as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.43; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 75.15 cm3; (14)Molar Volume: 218.4 cm3; (15)Polarizability: 29.79×10-24cm3; (16)Surface Tension: 53.6 dyne/cm; (17)Density: 1.232 g/cm3; (18)Flash Point: 275.5 °C; (19)Enthalpy of Vaporization: 85.01 kJ/mol; (20)Boiling Point: 532 °C at 760 mmHg; (21)Vapour Pressure: 3.8E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)C(NC(=O)c1ccccc1)Cc2ccccc2
2.InChI: InChI=1/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)
3.InChIKey: NPKISZUVEBESJI-UHFFFAOYAV

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