AG003M9I

36023-58-2 | 2,​3-​Pyrazinedicarbonitri​le, 5,​6-​diamino-

AG003M9I

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CAS Number	36023-58-2
Catalog Number	AG003M9I(AGN-PC-0L5P02)
Chemical Name	2,​3-​Pyrazinedicarbonitri​le, 5,​6-​diamino-
IUPAC Name	5,6-diaminopyrazine-2,3-dicarbonitrile
InChI	InChI=1S/C6H4N6/c7-1-3-4(2-8)12-6(10)5(9)11-3/h(H2,9,11)(H2,10,12)
InChI Key	FTHBTDDIVWLRLP-UHFFFAOYSA-N
MDL Number	MFCD00191418
Molecular Formula	C6H4N6
Molecular Weight	160.1362
SMILES	C(#N)c1c(C#N)nc(c(n1)N)N
Synonyms	36023-58-2, 5,6-diaminopyrazine-2,3-dicarbonitrile, 5,6-Diamino-2,3-dicyanopyrazine, 5,6-Diamino-2,3-pyrazinedicarbonitrile, AC1N3ZOC, ACMC-1AE1T, SCHEMBL137039, C6H4N6, CTK3J6579, DTXSID40399541, diaminopyrazine-2,3-dicarbonitrile, ZINC2556818, 1596AE, ANW-28335, MFCD00191418, SBB055894, AKOS015854656, FCH1117089, MCULE-4500729651, QC-6914, RTR-014826, ACM36023582, KS-0000142N, DB-069297, TR-014826, D2270, FT-0692654, ST50950041, 5,6-Diamino-2,3-dicyanopyrazine (mixed isomer), 5,6-Diamino-2,3-pyrazinedicarbonitrile, AldrichCPR, 5,6-Diamino-2,3-pyrazinedicarboxylic acid; Dinitrile, I14-58896, CID4120764,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.05g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.14g/mol
Monoisotopic Mass	160.05g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

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