AG008M9E

80636-30-2 | 3,3-Dimethyl-3,4-dihydroquinoxalin-2(1H)-one

AG008M9E

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CAS Number	80636-30-2
Catalog Number	AG008M9E(AGN-PC-0JTHMW)
Chemical Name	3,3-Dimethyl-3,4-dihydroquinoxalin-2(1H)-one
IUPAC Name	3,3-dimethyl-1,4-dihydroquinoxalin-2-one
InChI	InChI=1S/C10H12N2O/c1-10(2)9(13)11-7-5-3-4-6-8(7)12-10/h3-6,12H,1-2H3,(H,11,13)
InChI Key	RDKNTOVJVFYGPA-UHFFFAOYSA-N
MDL Number	MFCD00186947
Molecular Formula	C10H12N2O
Molecular Weight	176.2151
SMILES	O=C1NC2=C(C=CC=C2)NC1(C)C
Synonyms	80636-30-2, 3,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, 3,3-Dimethyl-3,4-dihydro-1H-quinoxalin-2-one, 3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one, 3,3-dimethyl-1,4-dihydroquinoxalin-2-one, 3,3-Dimethyl-3,4-dihydro-2(1H)-quinoxalinone, RDKNTOVJVFYGPA-UHFFFAOYSA-N, 2(1H)-Quinoxalinone, 3,4-dihydro-3,3-dimethyl-, F1011-0469, 2(1H)-Quinoxalinone,3,4-dihydro-3,3-dimethyl-(9CI), 3,3-dimethyl-1,3,4-trihydroquinoxalin-2-one, ACMC-209pjv, AC1LC6HU, AC1Q2CR2, Oprea1_274771, Oprea1_402834, SCHEMBL757520, CHEMBL541235, SCHEMBL8316306, CTK5E7955, KS-00000MDP, DTXSID70344226, HMS1607D13, ALBB-010340, BCP09907, ZINC3886454, ANW-37385, BBL003975, MFCD00186947, SBB018434, STK522206, STK634319, AKOS000117179, AKOS005566328, CS-W023074, MCULE-6227450322, MS-1167, AJ-47228, AK-92381, CJ-11171, DA-03174, ST072261, 3,3-dimethyl-3,4-dihydroquinoxalin-2-ol, 3,3-dimethyl-3,4-dihydroquinoxalin-2-one, AB0063958, ST2417216, TC-126130, 4CH-014629, AM20041192, BB 0241761, FT-0683234, R2505, V7832, EN300-05878, D57197, 3,4-Dihydro-3,3-dimethyl-2(1H)-quinoxalinone, 3,4-dihydro-3,3-dimethylquinoxalin-2(1H)-one, 3,3-Dimethyl-3,4-dihydro-1H-quinoxalin-2-on e, 3,3-Dimethyl-3,4-dihydroquinoxaline-2(1H)-one, AE-848/30539054, I08-758, SR-01000395392, 1,2,3,4-Tetrahydro-3,3-dimethylquinoxalin-2-one, 3,3-Dimethyl-3,4-dihydro-2(1H)-quinoxalinone #, Quinoxalin-2(1H)-one, 3,4-dihydro-3,3-dimethyl-, SR-01000395392-1, Z56913174, 2(1H)-Quinoxalinone,3,4-dihydro-3,3-dimethyl-(9CI);, A1254/0057283, C10H12N2O, CID595203, ZINC03886454, 2 -Quinoxalinone,3,4-dihydro-3,3-dimethyl-,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	176.219g/mol
Monoisotopic Mass	176.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

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