5-Amino-8-methoxyquinoline - CAS 70945-35-6

Catalog:	BB034271
Product Name:	5-Amino-8-methoxyquinoline
CAS:	70945-35-6
Synonyms:	8-methoxy-5-quinolinamine; 8-methoxyquinolin-5-amine

Technical Data

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Computed Properties

IUPAC Name:	8-methoxyquinolin-5-amine
Description:	5-Amino-8-methoxyquinoline (CAS# 70945-35-6) is a useful research chemical.
Molecular Weight:	174.20
Molecular Formula:	C10H10N2O
Canonical SMILES:	COC1=C2C(=C(C=C1)N)C=CC=N2
InChI:	InChI=1S/C10H10N2O/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,11H2,1H3
InChI Key:	PFWACEYBFBFSRM-UHFFFAOYSA-N
MDL:	MFCD09044356
LogP:	2.40680

Publication Number	Title	Priority Date
US-2012157465-A1	Dna methylation inhibitors	20101220
US-8546397-B2	DNA methylation inhibitors	20101220
WO-2012087889-A2	Dna methylation inhibitors	20101220
CA-1340821-C	Heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components	19881006
EP-0363212-A2	Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components	19881006

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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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.079312947
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7