AG000Z3T

129365-93-1 | 1,2-Benzenedicarbonitrile, 4,5-diamino-

AG000Z3T

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CAS Number	129365-93-1
Catalog Number	AG000Z3T(AGN-PC-0JUSML)
Chemical Name	1,2-Benzenedicarbonitrile, 4,5-diamino-
IUPAC Name	4,5-diaminobenzene-1,2-dicarbonitrile
InChI	InChI=1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2
InChI Key	PCKAZQYWUDIFQM-UHFFFAOYSA-N
MDL Number	MFCD02376082
Molecular Formula	C8H6N4
Molecular Weight	158.1600
SMILES	N#CC1=CC(N)=C(N)C=C1C#N
Synonyms	4,5-Diaminophthalonitrile, 129365-93-1, 4,5-diaminobenzene-1,2-dicarbonitrile, 4,5-diamino-1,2-Benzenedicarbonitrile, 1,2-Benzenedicarbonitrile, 4,5-diamino-, 1,2-Diamino-4,5-dicyanobenzene, PCKAZQYWUDIFQM-UHFFFAOYSA-N, ZERO/005550, AC1LDWGZ, 1,2-Benzenedicarbonitrile,4,5-diamino-, ACMC-1BXR1, 4,5-Diamino-phthalonitrile, 4,5-diaminophthalodinitrile, SCHEMBL240599, CTK0F5995, KS-00000PIN, ZINC39406, DTXSID00350279, 4,5-Diaminophthalonitrile, 95%, ANW-48399, CD-478, MFCD02376082, SBB002551, STK661910, AKOS003646732, 1,2-Diaminobenzene-4,5-dicarbonitrile, CS-W006730, MCULE-3563168472, 4,5-Diamino-1,2- benzenedicarbonitrile, AJ-08838, AK-76803, AN-32442, BR-76803, DS-16756, SC-14867, ST056152, DB-062687, TC-137144, 4CH-011197, D4329, FT-0686789, ST24023043, X9749, S-6313, C8H6N4, CID676368,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	158.164g/mol
Monoisotopic Mass	158.059g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	99.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301-H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P301+P310-P305+P351+P338
Siginal words

Certificate of Analysis

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