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The L-Asparagine,N2-[(1,1-dimethylethoxy)carbonyl]-, phenylmethyl ester is an organic compound with the formula C16H22N2O5. The systematic name of this chemical is benzyl N~2~-(tert-butoxycarbonyl)asparaginate. With the CAS registry number 13512-57-7, it is also named as Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester).
Physical properties about L-Asparagine,N2-[(1,1-dimethylethoxy)carbonyl]-, phenylmethyl ester are: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.66; (4)ACD/BCF (pH 5.5): 61.92; (5)ACD/BCF (pH 7.4): 61.89; (6)ACD/KOC (pH 5.5): 667.09; (7)ACD/KOC (pH 7.4): 666.76; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 76.15Å2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 83.49 cm3; (14)Molar Volume: 271.3 cm3; (15)Polarizability: 33.1×10-24cm3; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.188 g/cm3; (18)Flash Point: 279.5 °C; (19)Enthalpy of Vaporization: 81.58 kJ/mol; (20)Boiling Point: 538.6 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(C(=O)OCc1ccccc1)CC(=O)N
(2)InChI: InChI=1/C16H22N2O5/c1-16(2,3)23-15(21)18-12(9-13(17)19)14(20)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,17,19)(H,18,21)
(3)InChIKey: VNFPRPGXGYMAKL-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C16H22N2O5/c1-16(2,3)23-15(21)18-12(9-13(17)19)14(20)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,17,19)(H,18,21)
(5)Std. InChIKey: VNFPRPGXGYMAKL-UHFFFAOYSA-N