Carbamic acid,[(1S)-2-(4-aminophenyl)-1-(hydroxymethyl)ethyl]-, butyl ester (9CI) (188404-34-4)

The (S)-N-(Butoxycarbonyl)-4-aminophenylalaninol with the cas number 188404-34-4 is also called Carbamic acid,[(1S)-2-(4-aminophenyl)-1-(hydroxymethyl)ethyl]-, butyl ester (9CI). The systematic name is butyl [(1S)-1-(4-aminobenzyl)-2-hydroxyethyl]carbamate. Its molecular formula is C₁₄H₂₂N₂O₃. It should be stored in dry and cool environment.
 

The properties of the chemical are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 10.5; (6)ACD/BCF (pH 7.4): 12.01; (7)ACD/KOC (pH 5.5): 180.22; (8)ACD/KOC (pH 7.4): 206.1; (9)#H bond acceptors: 5; (10)#H bond donors: 4  ; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 42.01 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 74.69 cm³; (15)Molar Volume: 233.7 cm³; (16)Polarizability: 29.61×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Enthalpy of Vaporization: 78.67 kJ/mol; (19)Vapour Pressure: 4.21×10^-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCC)N[C@@H](Cc1ccc(N)cc1)CO
(2)InChI: InChI=1/C14H22N2O3/c1-2-3-8-19-14(18)16-13(10-17)9-11-4-6-12(15)7-5-11/h4-7,13,17H,2-3,8-10,15H2,1H3,(H,16,18)/t13-/m0/s1
(3)InChIKey: OSUKKPIXRGNCBB-ZDUSSCGKBE