Carbamic acid,N-[(1S)-3-hydroxy-1-phenylpropyl]-, 1,1-dimethylethyl ester (718611-17-7)

The (S)-N-Boc-3-amino-3-phenylpropan-1-ol, with the cas registry number 718611-17-7, has the systematic name of tert-butyl [(1S)-3-hydroxy-1-phenylpropyl]carbamate. And the molecular formula of the chemical is C₁₄H₂₁NO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 38.77 Å²; (7)Index of Refraction: 1.519; (8)Molar Refractivity: 70.47 cm³; (9)Molar Volume: 231.8 cm³; (10)Polarizability: 27.93×10^-24cm³; (11)Surface Tension: 40.7 dyne/cm; (12)Density: 1.083 g/cm³; (13)Flash Point: 198.5 °C; (14)Enthalpy of Vaporization: 69.19 kJ/mol; (15)Boiling Point: 404.6 °C at 760 mmHg; (16)Vapour Pressure: 2.84E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](c1ccccc1)CCO
(2)InChI: InChI=1/C14H21NO3/c1-14(2,3)18-13(17)15-12(9-10-16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
(3)InChIKey: SMEMODSNLZWKBF-LBPRGKRZBU