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Pigment yellow 151

CAT: 0931-T87196-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87196-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31837-42-0
Target
Others
Related Pathways
Others
Bioactivity
Pigment Yellow 151 is a disazomethine dye with solid-state fluorescence and is a biologically active chemical.
Smiles
N(C(C(N=NC1=C(C(O)=O)C=CC=C1)C(C)=O)=O)C=2C=C3C(=CC2)NC(=O)N3
Molecular Formula
C18H15N5O5
Molecular Weight
381.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pigment Yellow 151
CAS Number31837-42-0
PubChem CID43525
IUPAC Name2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoic acid
Molecular FormulaC18H15N5O5
Molecular Weight381.3
XLogP1.7
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity681
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C18H15N5O5/c1-9(24)15(23-22-12-5-3-2-4-11(12)17(26)27)16(25)19-10-6-7-13-14(8-10)21-18(28)20-13/h2-8,15H,1H3,(H,19,25)(H,26,27)(H2,20,21,28)
InChIKey
YMFWVWDPPIWORA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pigment Yellow 151
CAS: 31837-42-0
CID: 43525
Formula: C18H15N5O5
MW: 381.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.3
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass381.10731860
Monoisotopic Mass381.10731860
Topological Polar Surface Area149 Ų
Heavy Atom Count28
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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