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1063734-78-0

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Basic Information
CAS No.: 1063734-78-0
Name: (S)-2-(ethylamino)-2-phenylethanol
Molecular Structure:
Molecular Structure of 1063734-78-0 ((S)-2-(ethylamino)-2-phenylethanol)
Formula: C10H15NO
Molecular Weight: 165.23
Synonyms: (S)-2-(ethylamino)-2-phenylethanol;(S)-2-(ethylamino)-2-phenylethan-1-ol;Benzeneethanol, β-(ethylamino)-, (βS)-;(betaS)-beta-(Ethylamino)benzeneethanol
Density: 1.017 g/cm3
Boiling Point: 285.7 °C at 760 mmHg
Flash Point: 114.4 °C
PSA: 32.26000
LogP: 1.72040
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Specification

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 Å2; (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