Flavanone hydrazone - ≥95% , CAS No.1692-46-2

CAS: 1692-46-2 Cat. No.: F978031 Peso molecular: 238.28 PubChem CID: 5465885

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1C(OC2=CC=CC=C2C1=NN)C3=CC=CC=C3
• IUPAC Name: (E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
• InChIKey: LTYOJFOTFBGRPP-GHRIWEEISA-N
• INCHI: 1S/C15H14N2O/c16-17-13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-9,15H,10,16H2/b17-13+
• Isómeros SMILES: C\1C(OC2=CC=CC=C2/C1=N/N)C3=CC=CC=C3
• PubChem CID: 5465885
• Peso molecular: 238.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavans
• Alternative Parents: 1-benzopyrans Alkyl aryl ethers Benzene and substituted derivatives Oxacyclic compounds Hydrazones Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavan - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Oxacycle - Hydrazone - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
• 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

Propiedades químicas y físicas

• Peso molecular: 238.280 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 238.111 Da
• Monoisotopic Mass: 238.111 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1