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(±)-2-(2,4-Dichlorophenyl)-2-hydroxyethylamine

(±)-2-(2,4-Dichlorophenyl)-2-hydroxyethylamine - CAS 88965-93-9

Catalog:	BB067994
Product Name:	(±)-2-(2,4-Dichlorophenyl)-2-hydroxyethylamine
CAS:	88965-93-9
Synonyms:	α-(Aminomethyl)-2,4-dichlorobenzenemethanol

Technical Data

Computed Properties

IUPAC Name:	2-amino-1-(2,4-dichlorophenyl)ethanol
Description:	(±)-2-(2,4-Dichlorophenyl)-2-hydroxyethylamine is an intermediate in the synthesis of Aminoazabenzimidazoles, a novel class of orally active antimalarial agent.
Molecular Weight:	206.07
Molecular Formula:	C8H9Cl2NO
Canonical SMILES:	C1=CC(=C(C=C1Cl)Cl)C(CN)O
InChI:	InChI=1S/C8H9Cl2NO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,12H,4,11H2
InChI Key:	WTTIEVRVCBIEQJ-UHFFFAOYSA-N
Solubility:	Methanol
Appearance:	White Power
References:	Hameed, P., et al. J. Med. Chem., 57, 5702 (2014).

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Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.0061193
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	205.0061193
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4