4-Amino-2-methylquinoline - CAS 6628-04-2

Catalog:	BB032967
Product Name:	4-Amino-2-methylquinoline
CAS:	6628-04-2
Synonyms:	2-methylquinolin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	2-methylquinolin-4-amine
Description:	4-Aminoquinaldine (CAS# 6628-04-2) is a reagent used in the synthesis of imine polymers and various pharmaceutical agents.
Molecular Weight:	158.20
Molecular Formula:	C10H10N2
Canonical SMILES:	CC1=NC2=CC=CC=C2C(=C1)N
InChI:	InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)
InChI Key:	COCFIBRMFPWUDW-UHFFFAOYSA-N
Boiling Point:	333 °C
Purity:	> 97.0 % (T)
Density:	1.169 g/cm³
Appearance:	Beige powder
MDL:	MFCD00006759
LogP:	2.70660

Publication Number	Title	Priority Date
CN-113264918-A	Coloring composition, compound, color filter and display device	20200214
JP-2021127453-A	Coloring compositions, compounds, color filters and display devices	20200214
KR-20210103964-A	Coloring composition, compound, color filter and display device	20200214
CN-110963967-A	Preparation method of 2-methyl-4-aminoquinoline	20191125
CN-111018777-A	Preparation method of dequalinium chloride	20191125

PMID	Publication Date	Title	Journal
22762161	20121101	Synthesis and biological evaluation of new sulfonamide derivatives as potential anti-Trypanosoma cruzi agents	Medicinal chemistry (Shariqah (United Arab Emirates))
21913006	20120101	Cellular mechanisms of desynchronizing effects of hypothermia in an in vitro epilepsy model	Neurotherapeutics : the journal of the American Society for Experimental NeuroTherapeutics
21126022	20110113	Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase	Journal of medicinal chemistry
20643554	20100815	Synthesis of aryl-heteroaryl ureas (AHUs) based on 4-aminoquinoline and their evaluation against the insulin-like growth factor receptor (IGF-1R)	Bioorganic & medicinal chemistry
19581121	20091001	Ab initio, density functional theory and structural studies of 4-amino-2-methylquinoline	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
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[7651-83-4]
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3-Hydroxy-1-methyl-6-nitroquinolin-2(1H)-one
[179943-57-8]
Ethyl 7-Bromo-4-hydroxy-3-quinolinecarboxylate
[83-73-8]
Iodoquinol
[119-65-3]
Isoquinoline

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GHS Hazard Statement:	H302 (10.64%): 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:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.084398327
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.084398327
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2