(S)-3-Amino-3-(4-chlorophenyl)-1-propanol - CAS 886061-26-3

Catalog:	BB039027
Product Name:	(S)-3-Amino-3-(4-chlorophenyl)-1-propanol
CAS:	886061-26-3
Synonyms:	(3S)-3-amino-3-(4-chlorophenyl)-1-propanol; (3S)-3-amino-3-(4-chlorophenyl)propan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol
Description:	(S)-3-Amino-3-(4-chlorophenyl)-1-propanol (CAS# 886061-26-3) is a useful research chemical.
Molecular Weight:	185.65
Molecular Formula:	C9H12ClNO
Canonical SMILES:	C1=CC(=CC=C1C(CCO)N)Cl
InChI:	InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m0/s1
InChI Key:	JGNACDMQJLVKIU-VIFPVBQESA-N
Boiling Point:	327.9 °C at 760 mmHg
Density:	1.216 g/cm³
LogP:	2.42250

Publication Number	Title	Priority Date
WO-2021121276-A1	Fused tetracyclic derivative, preparation method therefor, and medical use thereof	20191217
EP-3704118-A1	Aminoimidazopyridazines as kinase inhibitors	20171030
AU-2015265696-A1	Processes for the preparation of AZD5363 and novel intermediate used therein	20140528
AU-2015265696-B2	Processes for the preparation of AZD5363 and novel intermediate used therein	20140528
CA-2948444-A1	Processes for the preparation of azd5363 and novel intermediate used therein	20140528

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Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
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:	3
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1