Ethyl 3-Aminoquinoline-2-carboxylate - CAS 62235-59-0

Catalog:	BB031471
Product Name:	Ethyl 3-Aminoquinoline-2-carboxylate
CAS:	62235-59-0
Synonyms:	3-amino-2-quinolinecarboxylic acid ethyl ester; ethyl 3-aminoquinoline-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 3-aminoquinoline-2-carboxylate
Description:	Ethyl 3-Aminoquinoline-2-carboxylate (CAS# 62235-59-0) is a useful research chemical.
Molecular Weight:	216.24
Molecular Formula:	C12H12N2O2
Canonical SMILES:	CCOC(=O)C1=NC2=CC=CC=C2C=C1N
InChI:	InChI=1S/C12H12N2O2/c1-2-16-12(15)11-9(13)7-8-5-3-4-6-10(8)14-11/h3-7H,2,13H2,1H3
InChI Key:	DXRZFETVSRVQEV-UHFFFAOYSA-N
LogP:	2.93350

Publication Number	Title	Priority Date
WO-2020223685-A1	Polymorphic compounds and uses thereof	20190502
WO-2020223717-A1	Process for preparation of aldehyde scavenger and intermediates	20190502
EP-3440068-A1	Pesticidally active heterocyclic derivatives with sulphur containing substituents	20160407
EP-3440068-B1	Pesticidally active heterocyclic derivatives with sulphur containing substituents	20160407
JP-2019513739-A	Pesticidally active heterocyclic derivatives having sulfur-containing substituents	20160407

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.089877630
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.089877630
Rotatable Bond Count:	3
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6