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C.I. Azoic Coupling Component 5

CAT: 0931-T19995-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T19995-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91-96-3
Target
Others
Related Pathways
Others
Bioactivity
C.I. Azoic Coupling Component 5 is an indicator of fluorescent.
Smiles
CC(=O)CC(=O)Nc1ccc(cc1C)-c1ccc(NC(=O)CC(C)=O)c(C)c1
Molecular Formula
C22H24N2O4
Molecular Weight
380.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4'-Bis(o-acetoacetotoluidide)
CAS Number91-96-3
PubChem CID66686
IUPAC NameN-[2-methyl-4-[3-methyl-4-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
Molecular FormulaC22H24N2O4
Molecular Weight380.4
XLogP3.4
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity551
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)CC(=O)C)C)NC(=O)CC(=O)C
InChI
InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKey
CRRLDLPBQWRVGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Bis(o-acetoacetotoluidide)
CAS: 91-96-3
CID: 66686
Formula: C22H24N2O4
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass380.17360725
Monoisotopic Mass380.17360725
Topological Polar Surface Area92.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity551
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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