AG002TH4

2650-17-1 | 1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:1)

AG002TH4

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CAS Number	2650-17-1
Catalog Number	AG002TH4(AGN-PC-0R2GM3)
Chemical Name	1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:1)
EC Number	220-167-5
IUPAC Name	sodium;4-[(Z)-[4-(ethylamino)-3-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate
InChI	InChI=1S/C25H28N2O6S2.Na/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33;/h7-15,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1/b25-19-,27-23?;
InChI Key	VVLFAAMTGMGYBS-VARVZIDFSA-M
MDL Number	MFCD00040657
Molecular Formula	C25H27N2NaO6S2
Molecular Weight	538.6114
SMILES	O=S(C1=CC=C(/C(C3=CC=C(NCC)C(C)=C3)=C2/C=C(C)/C(C=C2)=N/CC)C(S(=O)(O)=O)=C1)([O-])=O.[Na+]
Synonyms	2650-17-1, MFCD00019481, Acid blue 147, XC, C25H27N2O6S2.Na, VVLFAAMTGMGYBS-VARVZIDFSA-M, Xylenecyanol FF, dye content 70%, Sodium 4-((4-(ethylamino)-3-methylphenyl)(4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)-3-sulfobenzenesulfonate, 7843AH, GT4153, Xylene Cyanol FF, Dye content 75 %, ACM2650171, Xylene Cyanol FF, for molecular biology, BioReagent, Xylene Cyanol FF, Xylene cyanole FF, Cyanol FF, XyleneCyanoleFF, Xylene cyanol FF - 25G 25g, Xylene Cyanol FF (C.I. 42135), Xylenecyanol FF, dye content 70% 10g, Xylene Cyanol Ff C. I. No. 42135 10gm, 1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, monosodium salt, 1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, sodium salt (1:1), 4463-44-9,

Complexity	1120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	538.121g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	538.609g/mol
Monoisotopic Mass	538.121g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	153A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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