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Phenylalanine,N-benzoyl-

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Name

Phenylalanine,N-benzoyl-

EINECS N/A
CAS No. 2901-76-0 Density 1.232 g/cm3
PSA 66.40000 LogP 2.50320
Solubility 0.85g/L(25.1 oC) Melting Point 187ºC
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 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2901-76-0 (BENZOYL-DL-PHENYLALANINE) Hazard Symbols N/A
Synonyms

Alanine,N-benzoyl-3-phenyl-, DL- (7CI,8CI);DL-Phenylalanine, N-benzoyl-;DL-2-Benzamido-3-phenylpropionic acid;DL-Bz-Phenylalanine;DL-N-Benzoylphenylalanine;N-Benzoyl-DL-phenylalanine;NSC 96354;N-benzoylphenylalanine;N-Benzoyl-DL-phenylalanine;N-Benzoylphenylalanine;Phenylalanine, N-benzoyl-;

Article Data 75

Phenylalanine,N-benzoyl- Specification

The Phenylalanine,N-benzoyl-, with the CAS registry number 2901-76-0, has the systematic name of N-benzoylphenylalanine. And the molecular formula of the chemical is C16H15NO3. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Phenylalanine,N-benzoyl- are 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. 

Addtionally, the following datas could be converted into the 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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