AG0002XJ

1008138-73-5 | 3-Pyridinecarboxylic acid, 5-amino-6-methyl-, ethyl ester

AG0002XJ

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CAS Number	1008138-73-5
Catalog Number	AG0002XJ(AGN-PC-0CH9VX)
Chemical Name	3-Pyridinecarboxylic acid, 5-amino-6-methyl-, ethyl ester
IUPAC Name	ethyl 5-amino-6-methylpyridine-3-carboxylate
InChI	InChI=1S/C9H12N2O2/c1-3-13-9(12)7-4-8(10)6(2)11-5-7/h4-5H,3,10H2,1-2H3
InChI Key	LKGZPPSZEDDGAG-UHFFFAOYSA-N
MDL Number	MFCD18256589
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	O=C(OCC)C1=CN=C(C)C(N)=C1
Synonyms	1008138-73-5, Ethyl 5-amino-6-methylnicotinate, ethyl 5-amino-6-methylpyridine-3-carboxylate, 5-AMINO-6-METHYL-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER, SCHEMBL9924655, DTXSID30729398, KS-000004XQ, MFCD18256589, ZINC88611800, AKOS016011788, DS-6923, PB30308, AK123285, AJ-128239, CS-0049447, Ethyl 3-amino-2-methylpyridine-5-carboxylate, Q-1545, 3-Pyridinecarboxylic acid, 5-amino-6-methyl-, ethyl ester, Ethyl5-amino-6-methylnicotinate,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.207g/mol
Monoisotopic Mass	180.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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