AG000LIE

124061-43-4 | 1,4-Benzenediol, 2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis-

AG000LIE

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CAS Number	124061-43-4
Catalog Number	AG000LIE(AGN-PC-0PHQLX)
Chemical Name	1,4-Benzenediol, 2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis-
IUPAC Name	2-[2-[(2,5-dihydroxyphenyl)methylideneamino]ethyliminomethyl]benzene-1,4-diol
InChI	InChI=1S/C16H16N2O4/c19-13-1-3-15(21)11(7-13)9-17-5-6-18-10-12-8-14(20)2-4-16(12)22/h1-4,7-10,19-22H,5-6H2
InChI Key	KQVXRKRRCLZZKX-UHFFFAOYSA-N
MDL Number	MFCD04039747
Molecular Formula	C16H16N2O4
Molecular Weight	300.3092
SMILES	OC1=CC=C(O)C=C1/C=N/CC/N=C/C2=CC(O)=CC=C2O
Synonyms	124061-43-4, N,N-BIS(2,5-DIHYDROXYBENZYLIDENE)ETHYLENEDIAMINE, N,N'-Bis(5-hydroxysalicylidene)ethylenediamine, 2,2'-((Ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(benzene-1,4-diol), AC1NWBNR, ACMC-209aql, SCHEMBL14666848, CTK8A9561, ZINC2526442, ANW-18187, MFCD04039747, AKOS016015568, ZINC100007422, ZINC100007426, AJ-37603, AJ-37604, AN-25087, TC-106932, B3015, N,N'-Ethylenebis(5-hydroxysalicylideneimine), ST50826141, N,N-Bis(5-hydroxysalicylidene)ethylenediamine, C-18757, W-200094, N,N-BIS-(2,5-DIHYDROXYBENZYLIDE)ETHYLENEDIAMINE, N,N-Bis(2,5-Dihydroxybenzylidene)ethylenediamine, AldrichCPR, 2-[(1E,5E)-6-(2,5-dihydroxyphenyl)-2,5-diazahexa-1,5-dienyl]benzene-1,4-diol, (6E)-4-hydroxy-6-[[2-[[(E)-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one, 2,2'-(1E,1'E)-(ethane-1,2-diylbis(azan-1-yl-1-ylidene))bis(methan-1-yl-1-ylidene)dibenzene-1,4-diol, 4-hydroxy-6-[[2-[(3-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylene]cyclohexa-2,4-dien-1-one, ZINC02526442, CID5702624, CID7016414, N,N-Bis (2,5-dihydroxybenzylidene)ethylenediamine,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.111g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	300.314g/mol
Monoisotopic Mass	300.111g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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