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128535-89-7

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Basic Information
CAS No.: 128535-89-7
Name: (S)-2-Amino-1-(4-chlorophenyl)ethanol
Article Data: 5
Molecular Structure:
Molecular Structure of 128535-89-7 ((S)-2-Amino-1-(4-chlorophenyl)ethanol)
Formula: C8H10ClNO
Molecular Weight: 171.626
Synonyms: Benzenemethanol,α-(aminomethyl)-4-chloro-,(S)-;(+)-α-(Aminomethyl)-p-chlorobenzylalcohol;(S)-2-Amino-1-(4-chlorophenyl)ethanol;
Density: 1.26 g/cm3
Boiling Point: 319.8 °C at 760 mmHg
Flash Point: 147.2 °C
PSA: 46.25000
LogP: 2.03240
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Specification

The Benzenemethanol, α-(aminomethyl)-4-chloro-, (aS)-, with the CAS registry number 128535-89-7, is also known as (S)-2-Amino-1-(4-chlorophenyl)ethanol. This chemical's molecular formula is C8H10ClNO and molecular weight is 171.6241. What's more, its systematic name is 2-Amino-1-(4-chlorophenyl)ethanol.

Physical properties about Benzenemethanol, α-(aminomethyl)-4-chloro- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 45.77 cm3; (9)Molar Volume: 136.1 cm3; (10)Polarizability: 18.14×10-24 cm3; (11)Surface Tension: 51.2 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 147.2 °C; (14)Enthalpy of Vaporization: 59.27 kJ/mol; (15)Boiling Point: 319.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000138 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(O)CN
(2) InChI: InChI=1/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2
(3) InChIKey: QPHAZZJNYDEVHL-UHFFFAOYAL