1H-1-Benzazepine-1-aceticacid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester (98626-45-0)

The 3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid ter-butyl ester with the CAS number 98626-45-0 is also called 1H-1-Benzazepine-1-aceticacid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester. The systematic name is tert-butyl (3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate. Its molecular formula is C₁₆H₂₂N₂O₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid ter-butyl ester are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 49.85Ų; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 79.88 cm³; (9)Molar Volume: 256.2 cm³; (10)Polarizability: 31.66×10^-24cm³; (11)Surface Tension: 42.4 dyne/cm; (12)Enthalpy of Vaporization: 74.82 kJ/mol; (13)Vapour Pressure: 1.71×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CN2c1ccccc1CCC(C2=O)N
(2)InChI: InChI=1/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3
(3)InChIKey: QTEDVVHLTMELTB-UHFFFAOYAX