AG00C4DZ

267875-45-6 | 3-Pyridinecarboxylicacid,5,6-diamino-(9CI)

AG00C4DZ

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CAS Number	267875-45-6
Catalog Number	AG00C4DZ(AGN-PC-03RVQH)
Chemical Name	3-Pyridinecarboxylicacid,5,6-diamino-(9CI)
IUPAC Name	5,6-diaminopyridine-3-carboxylic acid
InChI	InChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11)
InChI Key	AMUTYVGRCVFCCD-UHFFFAOYSA-N
MDL Number	MFCD10697694
Molecular Formula	C6H7N3O2
Molecular Weight	153.1387
SMILES	O=C(O)C1=CN=C(N)C(N)=C1
Synonyms	5,6-DIAMINONICOTINIC ACID, 267875-45-6, 5,6-DIAMINO-3-PYRIDINECARBOXYLIC ACID, 5,6-DIAMINOPYRIDINE-3-CARBOXYLIC ACID, SCHEMBL7216707, CTK1A0605, KS-00000IAF, DTXSID30625942, AMUTYVGRCVFCCD-UHFFFAOYSA-N, MFCD10697694, ZINC39066298, AKOS006302945, AB60261, DS-5157, 3-pyridinecarboxylic acid,5,6-diamino-, 3-Pyridinecarboxylicacid, 5,6-diamino-, AK126240, SC-49109, DB-067679, 3-Pyridinecarboxylicacid,5,6-diamino-(9CI), BB 0261862, FT-0729396, 3-PYRIDINECARBOXYLIC ACID, 5,6-DIAMINO-, 3-Pyridinecarboxylicacid,5,6-diamino-, 3-Pyridinecarboxylic acid, 5,6-diamino- (9CI),

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	153.141g/mol
Monoisotopic Mass	153.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	102A^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

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