AG00DJNB

4878-36-8 | 3,5-Diamino-6-chloropyrazine-2-carboxylic acid

AG00DJNB

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CAS Number	4878-36-8
Catalog Number	AG00DJNB(AGN-PC-0LTME7)
Chemical Name	3,5-Diamino-6-chloropyrazine-2-carboxylic acid
IUPAC Name	3,5-diamino-6-chloropyrazine-2-carboxylic acid
InChI	InChI=1S/C5H5ClN4O2/c6-2-4(8)10-3(7)1(9-2)5(11)12/h(H,11,12)(H4,7,8,10)
InChI Key	OCSQJDAUOOHJEI-UHFFFAOYSA-N
MDL Number	MFCD06208349
Molecular Formula	C5H5ClN4O2
Molecular Weight	188.5718
SMILES	O=C(C1=NC(Cl)=C(N)N=C1N)O
Synonyms	3,5-diamino-6-chloro-pyrazine acid, 3,5-diamino-6-chloropyrazine-2-carboxylic acid, 4878-36-8, 3,5-Diamino-6-chloro-pyrazine acid, 3,5-Diamino-6-chloro-2-pyrazinecarboxylic acid, 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID, 3,5-Diamino-6-chloropyrazinecarboxylic acid, A1-00484, AC1O54QS, SCHEMBL1134621, RARECHEM AL BO 1272, DTXSID80197604, OCSQJDAUOOHJEI-UHFFFAOYSA-N, 3,5-diamino-6-chloropyrazinoic acid, FCH851216, MFCD06208349, ZINC21298040, AKOS006294751, OR51902, AJ-78157, AK153341, AS-47011, AX8223149, TL8003273, X6980, 3,5-diamino-6-chloropyrazine-2carboxylic acid, Z-7921, Pyrazinecarboxylic acid, 3,5-diamino-6-chloro-, 173174-EP2285785A1, 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC, C5H5ClN4O2, C5-H5-Cl-N4-O2, CID6452119,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.01g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	188.571g/mol
Monoisotopic Mass	188.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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