AG0014OC

1333319-62-2 | 1(2H)-Pyridinecarboxylic acid, 4-amino-5,6-dihydro-2-oxo-, 1,1-dimethylethyl ester

AG0014OC

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CAS Number	1333319-62-2
Catalog Number	AG0014OC(AGN-PC-0WD2F3)
Chemical Name	1(2H)-Pyridinecarboxylic acid, 4-amino-5,6-dihydro-2-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-amino-6-oxo-2,3-dihydropyridine-1-carboxylate
InChI	InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)6-8(12)13/h6H,4-5,11H2,1-3H3
InChI Key	RNSZCMUVIYHTIU-UHFFFAOYSA-N
MDL Number	MFCD18207247
Molecular Formula	C10H16N2O3
Molecular Weight	212.2456
SMILES	O=C(N1CCC(N)=CC1=O)OC(C)(C)C
Synonyms	1333319-62-2, tert-butyl 4-amino-2-oxo-5,6-dihydropyridine-1(2H)-carboxylate, DTXSID50745338, ZINC91353284, AK134395, AS-50355, AJ-130750, AX8255946, FT-0733276, tert-butyl 4-amino-6-oxo-2,3-dihydropyridine-1-carboxylate, tert-Butyl 4-amino-6-oxo-3,6-dihydropyridine-1(2H)-carboxylate, 1(2H)-Pyridinecarboxylic acid, 4-amino-5,6-dihydro-2-oxo-, 1,1-dimethylethyl ester, ACN-029504, tert-Butyl4-amino-2-oxo-5,6-dihydropyridine-1(2H)-carboxylate,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.116g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.249g/mol
Monoisotopic Mass	212.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330
UN Code	\N

Certificate of Analysis

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