6-Quinoline Acetic Acid - CAS 5622-34-4

Catalog:	BB029298
Product Name:	6-Quinoline Acetic Acid
CAS:	5622-34-4
Synonyms:	2-(6-quinolinyl)acetic acid; 2-quinolin-6-ylacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-quinolin-6-ylacetic acid
Description:	6-Quinoline Acetic Acid (CAS# 5622-34-4) is a useful research chemical.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	C1=CC2=C(C=CC(=C2)CC(=O)O)N=C1
InChI:	InChI=1S/C11H9NO2/c13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7H2,(H,13,14)
InChI Key:	CFVILHFXMRQYSG-UHFFFAOYSA-N
Boiling Point:	388.8 °C at 760 mmHg
Density:	1.297 g/cm³
MDL:	MFCD07776794
LogP:	1.86190

Publication Number	Title	Priority Date
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
WO-2020203609-A1	Use of t-type calcium channel blocker for treating pruritus	20190329
WO-2020203610-A1	Use of t-type calcium channel blocker for treating rheumatoid arthritis	20190329
WO-2020017569-A1	T-type calcium channel blocker	20180717
EP-3825303-A1	T-type calcium channel blocker	20180717

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.06332853
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7