Products for Research Use Only

Disperse blue 291G

CAT: 0013-GTR19339017-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19339017-01Size:50 mg
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Description
Disperse Blue 291G is a synthetic dye primarily used for coloring polyester fibers. In research, it serves as a model compound in studies of dye degradation, wastewater treatment processes, and the environmental fate of industrial colorants.
CAS Number
51868-46-3
Molecular Weight
533.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acetamide, N-(2-((2-bromo-4,6-dinitrophenyl)azo)-5-(di-2-propenylamino)-4-methoxyphenyl)-
CAS Number51868-46-3
PubChem CID103997
IUPAC NameN-[5-[bis(prop-2-enyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Molecular FormulaC21H21BrN6O6
Molecular Weight533.3
XLogP4.6
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity777
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC=C)CC=C
InChI
InChI=1S/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)
InChIKey
WXDXQSMFRITTEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetamide, N-(2-((2-bromo-4,6-dinitrophenyl)azo)-5-(di-2-propenylamino)-4-methoxyphenyl)-
CAS: 51868-46-3
CID: 103997
Formula: C21H21BrN6O6
MW: 533.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight533.3
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass532.07059
Monoisotopic Mass532.07059
Topological Polar Surface Area158 Ų
Heavy Atom Count34
Formal Charge0
Complexity777
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes