(S)-Benzyl 2-amino-2-phenylethylcarbamate (1041261-05-5)

The (S)-Benzyl 2-amino-2-phenylethylcarbamate, with the CAS registry number 1041261-05-5, is also known as Benzyl [(2S)-2-amino-2-phenylethyl]carbamate. This chemical's molecular formula is C₁₆H₁₈N₂O₂ and molecular weight is 270.33. What's more, its systematic name is called Benzyl N-[(2S)-2-amino-2-phenyl-ethyl]carbamate.

Physical properties about (S)-Benzyl 2-amino-2-phenylethylcarbamate are: (1) ACD/LogP: 3.00; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.12; (4) ACD/LogD (pH 7.4): 1.61; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 4.6; (7) ACD/KOC (pH 5.5): 1.35; (8) ACD/KOC (pH 7.4): 41.94; (9) #H bond acceptors: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 64.35 Å²; (13) Index of Refraction: 1.589; (14) Molar Refractivity: 78.46 cm³; (15) Molar Volume: 232.6 cm³; (16) Surface Tension: 49.1 dyne/cm; (17) Density: 1.161 g/cm³; (18) Flash Point: 232.5 °C; (19) Enthalpy of Vaporization: 72.16 kJ/mol; (20) Boiling Point: 460.8 °C at 760 mmHg; (21) Vapour Pressure: 1.13E-08 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)COC(=O)NC[C@H](c2ccccc2)N
(2) InChI: InChI=1/C16H18N2O2/c17-15(14-9-5-2-6-10-14)11-18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,11-12,17H2,(H,18,19)/t15-/m1/s1
(3) InChIKey: PRGWXRXVMOOPKN-OAHLLOKOBV