3-Amino-4(3H)-quinazolinone - CAS 14663-46-8

Catalog:	BB010107
Product Name:	3-Amino-4(3H)-quinazolinone
CAS:	14663-46-8
Synonyms:	3-aminoquinazolin-4-one

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Computed Properties

IUPAC Name:	3-aminoquinazolin-4-one
Description:	3-Amino-4(3H)-quinazolinone was used in the study of anticonvulsant activity and neurotoxicity of 2-alkyl-3-amino-4(3H)quinazolinones in mice.
Molecular Weight:	161.16
Molecular Formula:	C8H7N3O
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C=N2)N
InChI:	InChI=1S/C8H7N3O/c9-11-5-10-7-4-2-1-3-6(7)8(11)12/h1-5H,9H2
InChI Key:	XZRJWCFKYOZVIH-UHFFFAOYSA-N
Boiling Point:	348.9 °C at 760 mmHg
Melting Point:	209-213 °C (lit.)
Purity:	95 %
Density:	1.41 g/cm³
MDL:	MFCD01038386
LogP:	0.69150

Publication Number	Title	Priority Date
CN-108483519-A	A kind of preparation method of metal oxide graphene composite wave-suction material	20180303
US-2012122890-A1	Potassium Channel Modulators	20101116
US-8609674-B2	Potassium channel modulators	20101116
WO-2012067824-A1	Potassium channel modulators	20101116
WO-2011014487-A1	Hepatitis c virus ns3 protease inhibitors	20090730

PMID	Publication Date	Title	Journal
22829337	20121001	Synthesis and antimicrobial activities of a novel series of heterocyclic α-aminophosphonates	Archiv der Pharmazie

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

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.058911855
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.058911855
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1