10-Methyl-9(10H)-acridone - ≥98%(N) , CAS No.719-54-0

CAS: 719-54-0 Cat. No.: M157881 Molecular Weight: 209.25 EC Number: 211-948-1

GRADE & PURITY ≥98%(N)

Synonyms

NSC54142 | NSC-54142 | AMY23850 | 10-Methyl-9(10H)-acridinone, 9CI | RD7-5039 | MFCD00005024 | 9(10H)-Acridinone, 10-methyl- (9CI) | SR-01000412797-1 | 10-Methyl-9(10H)-acridinone # | N-Methyl-9-acridone | STK376612 | 10-methylacridin-9-one | 9(10H)-Acrid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC54142 | NSC-54142 | AMY23850 | 10-Methyl-9(10H)-acridinone, 9CI | RD7-5039 | MFCD00005024 | 9(10H)-Acridinone, 10-methyl- (9CI) | SR-01000412797-1 | 10-Methyl-9(10H)-acridinone # | N-Methyl-9-acridone | STK376612 | 10-methylacridin-9-one | 9(10H)-Acrid

Specifications & Purity

≥98%(N)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(N)

Names and Identifiers

• Pubchem Sid: 488184399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184399
• Canonical Smiles: CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31
• IUPAC Name: 10-methylacridin-9-one
• InChIKey: XUVKSPPGPPFPQN-UHFFFAOYSA-N
• INCHI: 1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3
• Isomeric SMILES: CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31
• Molecular Weight: 209.25
• Reaxy-Rn: 159075
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=159075&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Acridones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Acridones
• Alternative Parents: Hydroquinolones Hydroquinolines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Dihydroquinolone - Dihydroquinoline - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
• 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

Associated Targets(Human)

HaCaT (4069 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 203 °C
• Molecular Weight: 209.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 209.084 Da
• Monoisotopic Mass: 209.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 262.000
• 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

References

1. Limin Duan, Huihao Jiang, Wenhao Wu, Daohui Lin, Kun Yang.  (2022)  Defective iron based metal-organic frameworks derived from zero-valent iron for highly efficient fenton-like catalysis.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36462241] [10.1016/j.jhazmat.2022.130426]