3-Amino-2,6-dimethoxypyridine monohydrochloride - CAS 80789-72-6

Catalog:	BB036551
Product Name:	3-Amino-2,6-dimethoxypyridine monohydrochloride
CAS:	80789-72-6
Synonyms:	2,6-dimethoxypyridin-3-amine;hydrochloride

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Computed Properties

IUPAC Name:	2,6-dimethoxypyridin-3-amine;hydrochloride
Description:	3-Amino-2,6-dimethoxypyridine monohydrochloride (CAS# 80789-72-6) is a useful research chemical.
Molecular Weight:	190.63
Molecular Formula:	C7H10N2O2 · HCl
Canonical SMILES:	COC1=NC(=C(C=C1)N)OC.Cl
InChI:	InChI=1S/C7H10N2O2.ClH/c1-10-6-4-3-5(8)7(9-6)11-2;/h3-4H,8H2,1-2H3;1H
InChI Key:	FITCPYYVAJWASG-UHFFFAOYSA-N
Boiling Point:	265.7 °C at 760 mmHg
Density:	1.159 g/cm³
MDL:	MFCD00012816
LogP:	2.06420

Publication Number	Title	Priority Date
WO-2019234115-A1	Alkoxy-substituted pyridinyl derivatives as lpa1 receptor antagonists and their use in the treatment of fibrosis	20180607
TW-202016090-A	Pyridyl derivatives substituted with alkoxy groups	20180607
AU-2019282274-A1	Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis	20180607
BR-112020024879-A2	COMPOUND, PHARMACEUTICAL COMPOSITION, USE OF A COMPOUND, AND, METHOD	20180607
CN-112236424-A	Alkoxy-substituted pyridyl derivatives	20180607

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.0509053
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	190.0509053
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0