4-(7-Diethylaminocoumarin-3-yl)benzoyl cyanide , CAS No.203256-20-6

CAS: 203256-20-6 Cat. No.: D1452922 Molecular Weight: 346.38 EC Number: 634-968-6 PubChem CID: 10545540

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

4-(7-Diethylaminocoumarin-3-yl)benzoyl cyanide (DACB-CN) is a multifunctional dye. Dyes are important tools in biological experiments. They can help researchers observe and analyze cell structures, track biomolecules, evaluate cell functions, distinguish cell types, detect biomolecules, study tissue pathology and monitor microorganisms. Their applications range from basic scientific research to clinical A wide range of diagnostics. Dyes are also widely used in traditional fields such as textile dyeing, as well as in emerging fields such as functional textile processing, food pigments and dye-sensitized solar cells.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)C(=O)C#N
• IUPAC Name: 4-[7-(diethylamino)-2-oxochromen-3-yl]benzoyl cyanide
• InChIKey: SWWHUDUIQPNVFF-UHFFFAOYSA-N
• INCHI: 1S/C21H18N2O3/c1-3-23(4-2)17-10-9-16-11-18(21(25)26-20(16)12-17)14-5-7-15(8-6-14)19(24)13-22/h5-12H,3-4H2,1-2H3
• Isomeric SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)C(=O)C#N
• WGK Germany: 3
• PubChem CID: 10545540
• Molecular Weight: 346.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Isoflavonoids
      • Subclass Isoflav-3-enes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Isoflavonoids
• Subclass: Isoflav-3-enes
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflav-3-enones
• Alternative Parents: Coumarins and derivatives 1-benzopyrans Dialkylarylamines Benzoyl derivatives Aryl ketones Pyranones and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Acyl cyanides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Ketone - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Acyl cyanide - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y