AG007J30

14663-46-8 | 4(3H)-Quinazolinone,3-amino-

AG007J30

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CAS Number	14663-46-8
Catalog Number	AG007J30(AGN-PC-0JL5BO)
Chemical Name	4(3H)-Quinazolinone,3-amino-
IUPAC Name	3-aminoquinazolin-4-one
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
MDL Number	MFCD01038386
Molecular Formula	C8H7N3O
Molecular Weight	161.1607
SMILES	NN1C=NC2=CC=CC=C2C1=O
Synonyms	3-Amino-4(3H)-quinazolinone, 14663-46-8, 3-aminoquinazolin-4(3H)-one, 4(3H)-Quinazolinone,3-amino-, 3-aminoquinazolin-4-one, 4(3H)-Quinazolinone, 3-amino-, 3-amino-3,4-dihydroquinazolin-4-one, NSC 113673, BRN 0131407, NSC59161, AC1L1YFD, AC1Q54QH, Oprea1_202754, 3-amino-4(3H)quinazolinone, 3-Amino-4(3H)-quinazolone, 5-24-03-00046 (Beilstein Handbook Reference), 3-amino-3H-quinazolin-4-one, SCHEMBL3190592, CTK4C5030, 3-amino-3-hydroquinazolin-4-one, DTXSID20163424, XZRJWCFKYOZVIH-UHFFFAOYSA-N, HMS1721J10, ZINC501340, BBL018781, MFCD01038386, NSC-59161, NSC113673, STL195364, 3-Amino-4(3H)-quinazolinone, 97%, AKOS000312975, EA-0822, MCULE-3465186177, NSC-113673, KS-000024S7, AB0255798, DB-063674, LS-140285, FT-0738961, ST50052373, T7408, EN300-11169, A18212, 663A468, J-511734, C8-H7-N3-O, CID63125,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.164g/mol
Monoisotopic Mass	161.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

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