Budralazine - ≥97% , CAS No.36798-79-5

CAS: 36798-79-5 Cat. No.: B354991 Peso molecular: 240.3

GRADE & PURITY ≥97%

Synonyms

4-Methyl-3-Penten-2-one 2-(1-phthalazinyl)hydrazone | 1(2H)-Phthalazinone (1,3-Dimethyl-2-butenylidene)hydrazone Buterazine

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4-Methyl-3-Penten-2-one 2-(1-phthalazinyl)hydrazone | 1(2H)-Phthalazinone (1, 3-Dimethyl-2-butenylidene)hydrazone Buterazine

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504764115
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764115
• Sonrisas canónicas: CC(=CC(=NNC1=NN=CC2=CC=CC=C21)C)C
• IUPAC Name: N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine
• InChIKey: DQGFCLJXYFXXIJ-LFIBNONCSA-N
• INCHI: 1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)/b16-11+
• Isómeros SMILES: CC(=C/C(=N/NC1=NN=CC2=CC=CC=C21)/C)C
• Peso molecular: 240.3
• Reaxy-Rn: 748282
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=748282&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalazines
• Alternative Parents: Pyridazines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Hydrazones Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazine - Imidolactam - Benzenoid - Pyridazine - Heteroaromatic compound - Azacycle - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 128-130° C
• Peso molecular: 240.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 240.137 Da
• Monoisotopic Mass: 240.137 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 331.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1