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121652-86-6

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Basic Information
CAS No.: 121652-86-6
Name: (R)-1-(3-CHLOROPHENYL)-1-HYDROXY-2-AMINOETHANE
Article Data: 4
Molecular Structure:
Molecular Structure of 121652-86-6 ((R)-1-(3-CHLOROPHENYL)-1-HYDROXY-2-AMINOETHANE)
Formula: C8H10ClNO
Molecular Weight: 171.626
Synonyms: Benzenemethanol,α-(aminomethyl)-3-chloro-,(R)-;(1R)-2-Amino-1-(3-chlorophenyl)ethanol;(R)-1-(3-Chlorophenyl)-1-hydroxy-2-aminoethanel;
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)-3-chloro-, (aR)-, with the CAS registry number 121652-86-6, is also known as (R)-1-(3-Chlorophenyl)-1-hydroxy-2-aminoethanel. This chemical's molecular formula is C8H10ClNO and molecular weight is 171.6241. What's more, its systematic name is 2-Amino-1-(3-chlorophenyl)ethanol.

Physical properties about Benzenemethanol, α-(aminomethyl)-3-chloro-, (aR)- 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: Clc1cc(ccc1)C(O)CN
(2) InChI: InChI=1/C8H10ClNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2
(3) InChIKey: STJIXOUDTUPEEL-UHFFFAOYA