5-Amino-3-chloroisoquinoline - CAS 58142-49-7

Catalog:	BB029950
Product Name:	5-Amino-3-chloroisoquinoline
CAS:	58142-49-7
Synonyms:	3-chloro-5-isoquinolinamine; 3-chloroisoquinolin-5-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-chloroisoquinolin-5-amine
Description:	5-Amino-3-chloroisoquinoline (CAS# 58142-49-7) is a useful research chemical.
Molecular Weight:	178.62
Molecular Formula:	C9H7ClN2
Canonical SMILES:	C1=CC2=CN=C(C=C2C(=C1)N)Cl
InChI:	InChI=1S/C9H7ClN2/c10-9-4-7-6(5-12-9)2-1-3-8(7)11/h1-5H,11H2
InChI Key:	ZITUQCQEDBPHMJ-UHFFFAOYSA-N
Boiling Point:	372.583 °C at 760 mmHg
Density:	1.363 g/cm³
MDL:	MFCD09999240
LogP:	3.05160

Publication Number	Title	Priority Date
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717
AU-2016340798-A1	Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors	20151020
CA-3002801-A1	Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors	20151020
EP-3365061-A1	Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors	20151020
JP-2018531262-A	Aminoisoxazoline compounds as agonists of Î±7-nicotinic acetylcholine receptors	20151020

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0297759
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4