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Pigment red 170

CAT: 0931-T87173-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T87173-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2786-76-7
Target
Others
Related Pathways
Others
Bioactivity
Pigment Red 170 is a widely utilized commercial dye for bulk coloring of plastics and synthetic fibers, as well as for surface coatings such as paints and inks.
Smiles
N(=NC1=CC=C(C(N)=O)C=C1)C=2C3=C(C=C(C(NC4=C(OCC)C=CC=C4)=O)C2O)C=CC=C3
Molecular Formula
C26H22N4O4
Molecular Weight
454.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pigment Red 170
CAS Number2786-76-7
PubChem CID17740
IUPAC Name4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Molecular FormulaC26H22N4O4
Molecular Weight454.5
XLogP5.2
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity724
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33)
InChIKey
BGVYDWVAGZBEMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pigment Red 170
CAS: 2786-76-7
CID: 17740
Formula: C26H22N4O4
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass454.16410520
Monoisotopic Mass454.16410520
Topological Polar Surface Area126 Ų
Heavy Atom Count34
Formal Charge0
Complexity724
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