2-Aminoquinoline-3-carboxylic Acid - CAS 31407-29-1

Catalog:	BB020905
Product Name:	2-Aminoquinoline-3-carboxylic Acid
CAS:	31407-29-1
Synonyms:	2-amino-3-quinolinecarboxylic acid; 2-aminoquinoline-3-carboxylic acid

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Computed Properties

IUPAC Name:	2-aminoquinoline-3-carboxylic acid
Description:	2-Aminoquinoline-3-carboxylic Acid (CAS# 31407-29-1) is a useful research chemical.
Molecular Weight:	188.18
Molecular Formula:	C10H8N2O2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C(=N2)N)C(=O)O
InChI:	InChI=1S/C10H8N2O2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)(H,13,14)
InChI Key:	PUBYDOJONNWFJJ-UHFFFAOYSA-N
Boiling Point:	383.3 °C at 760 mmHg
Density:	1.43 g/cm³
LogP:	2.09640

Publication Number	Title	Priority Date
CN-105646490-B	The cyclohexadione compounds of indoles [1,2 a] pyrimidine [4,5 b] quinoline 7,13, preparation method and its medicinal usage	20160127
AU-2011295406-A1	Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators	20100827
AU-2011295406-B2	Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators	20100827
CA-2805932-A1	Substituted 2-amino-quinoline-3-carboxamides as kcnq2/3 modulators	20100827
EP-2609084-A1	Substituted 2-amino-quinoline-3-carboxamides as kcnq2/3 modulators	20100827

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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:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.058577502
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9