The Phenylalanine,N-benzoyl-, 2-naphthalenyl ester, with the CAS registry number 2134-24-9, is also known as N-Benzoyl-DL-phenylalanine b-naphthyl ester. This chemical's molecular formula is C26H21NO3 and molecular weight is 395.45. What's more, its systematic name is Naphthalen-2-yl N-benzoylphenylalaninate and its EINECS number is 218-364-6. Besides, it belongs to the product categories of A - H; Amino Acids; Modified Amino Acids and its storage temperature is -20 °C.
Physical properties of Phenylalanine,N-benzoyl-, 2-naphthalenyl ester are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12329.22; (6)ACD/BCF (pH 7.4): 12329.2; (7)ACD/KOC (pH 5.5): 29503.98; (8)ACD/KOC (pH 7.4): 29503.91; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 117.7 cm3; (15)Molar Volume: 323.5 cm3; (16)Polarizability: 46.66×10-24 cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 350.9 °C; (20)Enthalpy of Vaporization: 96.67 kJ/mol; (21)Boiling Point: 656.6 °C at 760 mmHg; (22)Vapour Pressure: 4.1E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)OC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4
(2)InChI: InChI=1S/C26H21NO3/c28-25(21-12-5-2-6-13-21)27-24(17-19-9-3-1-4-10-19)26(29)30-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,28)
(3)InChIKey: NPPKNSHRAVHLHD-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View