MPAC-Br , CAS No.177093-58-2

CAS: 177093-58-2 Cat. No.: M1451484 Peso molecular: 386.28 Número EC: 634-934-0 PubChem CID: 10738888

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

MPAC-Br is a highly sensitive fluorescent derivatization reagent for carboxylic acids in HPLC.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

• Sonrisas canónicas: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)CBr
• IUPAC Name: 3-[4-(bromomethyl)phenyl]-7-(diethylamino)chromen-2-one
• InChIKey: WTCCANMBFQWZMY-UHFFFAOYSA-N
• INCHI: 1S/C20H20BrNO2/c1-3-22(4-2)17-10-9-16-11-18(20(23)24-19(16)12-17)15-7-5-14(13-21)6-8-15/h5-12H,3-4,13H2,1-2H3
• Isómeros SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)CBr
• WGK Alemania: 3
• PubChem CID: 10738888
• Peso molecular: 386.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Isoflavonoids
• Subclass: Isoflav-3-enes
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoflav-3-enones
• Alternative Parents: Coumarins and derivatives 1-benzopyrans Dialkylarylamines Benzyl bromides Pyranones and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzyl bromide - Benzyl halide - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Alkyl halide - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl bromide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: 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