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Pigment yellow 81

CAT: 0013-GTR19301237-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19301237-01Size:10 mg
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Description
Pigment Yellow 81 is a biologically active disazomethine compound exhibiting solid-state fluorescence. It is utilized in materials science research for its optical properties and serves as a fluorescent probe in various in vitro experimental applications.
CAS Number
22094-93-5
Molecular Weight
754.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pigment Yellow 81
CAS Number22094-93-5
PubChem CID89597
IUPAC Name2-[[2,5-dichloro-4-[2,5-dichloro-4-[[1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
Molecular FormulaC36H32Cl4N6O4
Molecular Weight754.5
XLogP10.8
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count50
Formal Charge0
Complexity1180
SMILES
CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)Cl)C3=CC(=C(C=C3Cl)N=NC(C(=O)C)C(=O)NC4=C(C=C(C=C4)C)C)Cl)Cl)C
InChI
InChI=1S/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)
InChIKey
GPWXTTPSHZOIKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pigment Yellow 81
CAS: 22094-93-5
CID: 89597
Formula: C36H32Cl4N6O4
MW: 754.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight754.5
XLogP310.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass754.120964
Monoisotopic Mass752.123914
Topological Polar Surface Area142 Ų
Heavy Atom Count50
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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