AG0010IX

491-36-1 | Quinazolin-4(3H)-one

AG0010IX

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CAS Number	491-36-1
Catalog Number	AG0010IX(AGN-PC-00611K)
Chemical Name	Quinazolin-4(3H)-one
EC Number	207-735-8
IUPAC Name	3H-quinazolin-4-one
InChI	InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
InChI Key	QMNUDYFKZYBWQX-UHFFFAOYSA-N
MDL Number	MFCD27996450
Molecular Formula	C8H6N2O
Molecular Weight	146.1460
NSC Number	5863
SMILES	N1=CNC(C2=CC=CC=C12)=O
UNII	84JOT4EY5X
Synonyms	4(3H)-quinazolinone, 4-hydroxyquinazoline, 4-quinazolinol, 4-quinazolinone, quinazolin-4-one, 4-Hydroxyquinazoline, 491-36-1, Quinazolin-4-ol, 4-Quinazolinol, quinazolin-4(3H)-one, 4(3H)-Quinazolinone, 4-Quinazolone, 4-Quinazolinone, 4(1H)-Quinazolinone, 3,4-Dihydroquinazolin-4-one, 4-Oxoquinazoline, 4-HQN, 4(3H)-Quinazolone, Quinazolin-4(1H)-one, 1H-quinazolin-4-one, 132305-20-5, quinazolin-4-one, UNII-84JOT4EY5X, NSC 5863, MFCD00511302, quinazolidin-4-one, CCRIS 6801, 4-hydroxy quinazoline, 3H-Quinazolin-4-one, 3-hydro-4-quinazolinone, quinazoline-4(3H)-one, EINECS 207-735-8, QUINAZOLONE, 4-, 4-Hydroxyquinazoline, 98%, 84JOT4EY5X, 4-Oxo-3,4-dihydroquinazoline, CHEMBL266540, 4(3H)-Quinazolinone (9CI), 134434-33-6, 17227-47-3, QMNUDYFKZYBWQX-UHFFFAOYSA-N, 3nuy, 4pnn, quinazoline-4-one, JPZ, 4 hydroxyquinazoline, 4H-quinazolin-4-one, 4lm4, 4-(1H)-Quinazolinone, 3-hydroquinazolin-4-one, AC1L1YED, AC1Q6GPL, Quinazoline, 4-hydroxy-, ACMC-1AFF0, ACMC-1CAJ2, UPCMLD-DP009, 3,4-dihydroquinazolin4-one, DSSTox_CID_29372, DSSTox_RID_83487, DSSTox_GSID_49412, SCHEMBL10418, KSC237E0N, MLS000551010, DTXSID8049412, UPCMLD-DP009:001, BDBM27504, CTK0H0048, CTK1D7206, QMNUDYFKZYBWQX-UHFFFAOYSA-, NSC5863, CHEBI:113558, HMS1768L21, HMS2267F20, HMS3268P19, HMS3677K17, KUC112576N, ACN-S003374, ALBB-012761, BCP00749, KS-000004DY, NSC-5863, STR01100, Tox21_202920, 5960AA, ANW-30728, ANW-66803, BBL000422, GEO-01561, SBB005858, STK900177, STL412452, ZINC17970819, AKOS000120375, AKOS002667326, AKOS005144631, AC-2419, AN-2442, CS-W019586, FR-0855, HY-W018800, MCULE-7060458724, RP20975, RTC-061868, SB11452, KSC-321-063, NCGC00092327-01, NCGC00092327-03, NCGC00185015-01, NCGC00260466-01, AJ-70211, AK-27831, BR-27831, CAS-491-36-1, CJ-15805, I302, SC-27191, SMR000112527, AB0013605, AB0066406, AB1001129, DB-026878, LS-140279, TC-061868, AM20040556, BB 0242096, EU-0000466, FT-0083527, FT-0618749, H2739, ST45024484, 51986-EP2277867A2, 51986-EP2280003A2, 51986-EP2308844A2, 51986-EP2308845A2, 51986-EP2308846A2, AB00572679-10, 491H361, AC-907/34125008, I08-0121, W-200389, BRD-K91758890-001-03-5, Z56862715, CC65A28C-4F60-4D22-81DC-326D7F32EEE0, F0914-0242, InChI=1/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11, InChI=1/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11), quinazolone, 4 -Quinazolinone, QUINAZOLINONE, 4-Quinazolinol (9CI), C8H6N2O, C8-H6-N2-O, CID63112, 4-Hydroxyquinazoline, 98% - 1G 1g, A4524, A7361, H0803, A15370, M-3250, 2-({[(1s)-1-Cyclopropylethyl](Methyl)amino}methyl)quinazolin-4(3h)-One, 47P,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.149g/mol
Monoisotopic Mass	146.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number