3-Amino-2-methyl-4(3H)quinazolinone - CAS 1898-06-2

Catalog:	BB014671
Product Name:	3-Amino-2-methyl-4(3H)quinazolinone
CAS:	1898-06-2
Synonyms:	3-amino-2-methylquinazolin-4-one

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Computed Properties

IUPAC Name:	3-amino-2-methylquinazolin-4-one
Description:	3-Amino-2-methyl-4(3H)quinazolinone (CAS# 1898-06-2) is a useful research chemical.
Molecular Weight:	175.19
Molecular Formula:	C9H9N3O
Canonical SMILES:	CC1=NC2=CC=CC=C2C(=O)N1N
InChI:	InChI=1S/C9H9N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-5H,10H2,1H3
InChI Key:	IQOUPYQSZBDNAW-UHFFFAOYSA-N
Boiling Point:	348.1 °C at 760 mmHg
Melting Point:	149-152 °C (lit.)
Purity:	95 %
Density:	1.35 g/cm³
MDL:	MFCD00114253
LogP:	0.99990

Publication Number	Title	Priority Date
CN-110041306-A	4- hydroxyl -2- quinolone-nitrogen-(4- quinazolinone) -3- carboxamides derivatives	20180115
CN-106045922-A	2-(Amino) methylquinazolin-4(3H)-one compound and preparation method and application thereof	20160612
CA-2904760-A1	Pyrazolo compounds and uses thereof	20130313
CN-105980386-A	Pyrazolo compounds and uses thereof	20130313
EP-2970307-A1	Pyrazolo compounds and uses thereof	20130313

PMID	Publication Date	Title	Journal
21741298	20111015	Diorganotin(IV) complexes of biologically potent 4(3H)-quinazolinone derived Schiff bases: synthesis, spectroscopic characterization, DNA interaction studies and antimicrobial activity	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22247864	20100701	Synthesis and anti-microbial screening of novel schiff bases of 3-amino-2-methyl quinazolin 4-(3H)-one	Journal of advanced pharmaceutical technology & research
20494587	20100615	Identification of novel quinazolin-4(3H)-ones as inhibitors of thermolysin, the prototype of the M4 family of proteinases	Bioorganic & medicinal chemistry
15544052	20041001	Synthesis and pharmacological investigation of some novel 2-methyl-3-(substituted methylamino)-(3H)-quinazolin-4-ones as histamine H1-receptor blockers	Die Pharmazie

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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:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.074561919
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.074561919
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1