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Disperse Blue 183

CAT: 0931-T86232-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86232-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2309-94-6
Target
Others
Related Pathways
Others
Bioactivity
Disperse Blue 183, a blue dye, is frequently utilized in fiber dyeing.
Smiles
N(C(CC)=O)C1=C(N=NC2=C(C#N)C=C(N(=O)=O)C=C2Br)C=CC(N(CC)CC)=C1
Molecular Formula
C20H21BrN6O3
Molecular Weight
473.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-((2-Bromo-6-cyano-4-nitrophenyl)azo)-5-(diethylamino)phenyl)propionamide
CAS Number2309-94-6
PubChem CID75325
IUPAC NameN-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]propanamide
Molecular FormulaC20H21BrN6O3
Molecular Weight473.3
XLogP4.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity671
SMILES
CCC(=O)NC1=C(C=CC(=C1)N(CC)CC)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C#N
InChI
InChI=1S/C20H21BrN6O3/c1-4-19(28)23-18-11-14(26(5-2)6-3)7-8-17(18)24-25-20-13(12-22)9-15(27(29)30)10-16(20)21/h7-11H,4-6H2,1-3H3,(H,23,28)
InChIKey
IGUCIQQRHZUQKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((2-Bromo-6-cyano-4-nitrophenyl)azo)-5-(diethylamino)phenyl)propionamide
CAS: 2309-94-6
CID: 75325
Formula: C20H21BrN6O3
MW: 473.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass472.08585
Monoisotopic Mass472.08585
Topological Polar Surface Area127 Ų
Heavy Atom Count30
Formal Charge0
Complexity671
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

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