Phenylalanine,N-benzoyl- supplier

Name
BENZOYL-DL-PHENYLALANINE
EINECS
CAS No. 2901-76-0
Article Data75
CAS DataBase
Density 1.232 g/cm³
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
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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-;
PSA 66.40000
LogP 2.50320

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

Product Name

BENZOYL-DL-PHENYLALANINE

Phenylalanine,N-benzoyl- Specification

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