Hydroxy-4-methylphthalazine - ≥98% , CAS No.5004-48-8

CAS: 5004-48-8 Cat. No.: H347809 Fórmula: C₉H₈N₂O Peso molecular: 160.17 Número CE: 828-285-4

GRADE & PURITY ≥98%

Synonyms

NSC116342 | NSC-116342 | Z56877312 | Hydroxy-4-methylphthalazine | GEO-04153 | 4-methylphthalazinone | SMR000414227 | SCHEMBL8273098 | QRNVHFPDZAZUGX-UHFFFAOYSA-N | SCHEMBL555280 | 4-Methylphthalazin-1-ol | STK877962 | 4-METHYL-1(2H)-PHTHALAZINONE | 4-MET

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

NSC116342 | NSC-116342 | Z56877312 | Hydroxy-4-methylphthalazine | GEO-04153 | 4-methylphthalazinone | SMR000414227 | SCHEMBL8273098 | QRNVHFPDZAZUGX-UHFFFAOYSA-N | SCHEMBL555280 | 4-Methylphthalazin-1-ol | STK877962 | 4-METHYL-1(2H)-PHTHALAZINONE | 4-MET

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488182669
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182669
• Sorrisos canónicos: CC1=NNC(=O)C2=CC=CC=C12
• IUPAC Name: 4-methyl-2H-phthalazin-1-one
• InChIKey: QRNVHFPDZAZUGX-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O/c1-6-7-4-2-3-5-8(7)9(12)11-10-6/h2-5H,1H3,(H,11,12)
• SMILES isoméricas: CC1=NNC(=O)C2=CC=CC=C12
• Peso molecular: 160.17
• Reaxy-Rn: 129393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Phthalazines
          • Level6 Phthalazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Phthalazines
• Direct Parent: Phthalazinones
• Alternative Parents: Pyridazinones Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazinone - Pyridazinone - Benzenoid - Pyridazine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
• 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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 223-224° C (lit.)
• Peso molecular: 160.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.064 Da
• Monoisotopic Mass: 160.064 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 235.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5004-48-8, the molecular formula is C9H8N2O, and the molecular weight is 160.17 g/mol. InChIKey QRNVHFPDZAZUGX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.