BENZHYDRYLAMINOACETIC ACID, TERT-BUTYL ESTER

The Glycine,N-(diphenylmethyl)-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₉H₂₃NO₂. The systematic name of this chemical is Tert-butyl 2-(benzhydrylamino)acetate. With the CAS registry number 158980-46-2, it is also named as Benzhydrylaminoacetic acid tert-butyl ester. The categories of the product are Amino Acids 13C, 2H, 15N; Amino Acids and Derivatives; Aromatics; Intermediates. Besides, its molecular weight is 297.39. It is light brown crystalline solid. And it is a useful intermediate in the synthesis of 2-Azetidinones.

The physical properties of Glycine,N-(diphenylmethyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 4.32; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 1604; (5)ACD/BCF (pH 7.4): 3817; (6)ACD/KOC (pH 5.5): 5330; (7)ACD/KOC (pH 7.4): 12683; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 38.33 Å²; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 88.703 cm³; (14)Molar Volume: 280.971 cm³; (15)Polarizability: 35.164×10^-24 cm³; (16)Surface Tension: 39.297 dyne/cm; (17)Density: 1.058 g/cm³; (18)Flash Point: 191.93 °C; (19)Enthalpy of Vaporization: 64.367 kJ/mol; (20)Boiling Point: 393.745 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)CNC(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C19H23NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18,20H,14H2,1-3H3
(3)InChIKey: ZWWNPSADOUWQRL-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C19H23NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18,20H,14H2,1-3H3
(5)Std. InChIKey: ZWWNPSADOUWQRL-UHFFFAOYSA-N