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

CAS: 36798-79-5 Cat. No.: B354991 Molecular Weight: 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

Synonyms

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

Specifications & Purity

≥97%

Storage

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

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764115
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764115
• Canonical Smiles: 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+
• Isomeric SMILES: CC(=C/C(=N/NC1=NN=CC2=CC=CC=C21)/C)C
• Molecular Weight: 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
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 128-130° C
• Molecular Weight: 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