(betaS)-beta-(Ethylamino)benzeneethanol (1063734-78-0)

The (betaS)-beta-(Ethylamino)benzeneethanol, with the CAS registry number 1063734-78-0, has the systematic name of (2S)-2-(ethylamino)-2-phenyl-ethanol, and it is also called benzeneethanol, beta-(ethylamino)-, (betaS)-. The molecular formula of the chemical is C₁₀H₁₅NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.21; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 32.26 Ų; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 50.2 cm³; (14)Molar Volume: 162.3 cm³; (15)Polarizability: 19.9×10^-24cm³; (16)Surface Tension: 39.4 dyne/cm; (17)Density: 1.017 g/cm³; (18)Flash Point: 114.4 °C; (19)Enthalpy of Vaporization: 55.43 kJ/mol; (20)Boiling Point: 285.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00129 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCN[C@H](CO)c1ccccc1
(2)InChI: InChI=1/C10H15NO/c1-2-11-10(8-12)9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3/t10-/m1/s1
(3)InChIKey: TWZJJFDOOZXNRO-SNVBAGLBBZ