AG004OOZ

850689-13-3 | Methyl 4,5-diaminopicolinate

AG004OOZ

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CAS Number	850689-13-3
Catalog Number	AG004OOZ(AGN-PC-0HB8XC)
Chemical Name	Methyl 4,5-diaminopicolinate
IUPAC Name	methyl 4,5-diaminopyridine-2-carboxylate
InChI	InChI=1S/C7H9N3O2/c1-12-7(11)6-2-4(8)5(9)3-10-6/h2-3H,9H2,1H3,(H2,8,10)
InChI Key	PLICIZFHDSQJEI-UHFFFAOYSA-N
MDL Number	MFCD13186746
Molecular Formula	C7H9N3O2
Molecular Weight	167.1653
SMILES	O=C(OC)C1=NC=C(N)C(N)=C1
Synonyms	Methyl 4,5-diaminopicolinate, 850689-13-3, AK-82285, Methyl 4,5-diaminopyridine-2-carboxylate, Methyl 4,5-diamino-picolinate, SCHEMBL1336127, CTK8C2058, KS-00000QIL, DTXSID30736188, PLICIZFHDSQJEI-UHFFFAOYSA-N, ANW-67705, MFCD13186746, RB3263, ZINC82852587, AKOS016006619, FCH1153245, MP-0689, CJ-22094, DA-02771, DS-16561, AJ-125640, AX8237164, TC-156450, 4CH-012023, FT-0696447, ST24025315, Z5185, 2-Pyridinecarboxylic acid, 4,5-diamino-, methyl ester, Methyl4,5-diaminopicolinate, C7H9N3O2,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.069g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	167.168g/mol
Monoisotopic Mass	167.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	91.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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