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(1S,2R)-2-Amino-1-(4-chlorophenyl)-1-hydroxypropane

(1S,2R)-2-Amino-1-(4-chlorophenyl)-1-hydroxypropane - CAS 57908-21-1

Catalog:	BB029862
Product Name:	(1S,2R)-2-Amino-1-(4-chlorophenyl)-1-hydroxypropane
CAS:	57908-21-1
Synonyms:	2-amino-1-(4-chlorophenyl)-1-propanol; 2-amino-1-(4-chlorophenyl)propan-1-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	2-amino-1-(4-chlorophenyl)propan-1-ol
Description:	(1S,2R)-2-Amino-1-(4-chlorophenyl)-1-hydroxypropane (CAS# 57908-21-1 ) is a useful research chemical.
Molecular Weight:	185.65
Molecular Formula:	C9H12ClNO
Canonical SMILES:	CC(C(C1=CC=C(C=C1)Cl)O)N
InChI:	InChI=1S/C9H12ClNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3
InChI Key:	LTOCGMHUCZEAMG-UHFFFAOYSA-N
Appearance:	White crystals
MDL:	MFCD09028116
LogP:	3.22290

Publication Number	Title	Priority Date
WO-2011105572-A1	Novel heteroaryl derivative	20100226
AU-2010204407-A1	Benzimidazole-4-carboxamide derivatives, their preparation methods, pharmaceutical compositions and their uses	20090108
AU-2013251248-A1	Benzimidazole-4-carboxamide derivatives, their preparation methods, pharmaceutical compositions and their uses	20090108
CA-2749174-A1	Benzimidazole-4-carboxamide derivatives, their preparation methods, pharmaceutical compositions and their uses	20090108
EP-2386553-A1	Benzimidazole-4-carboxamide derivatives, their preparation methods, pharmaceutical compositions and their uses	20090108

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Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0607417
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.0607417
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5