2-Aminoacridone - Moligand™,≥98% , CAS No.27918-14-5

CAS: 27918-14-5 Cat. No.: A768514 Fórmula: C₁₃H₁₀N₂O Peso molecular: 210.23 Número CE: 634-773-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-Aminoacridin-9(10H)-one | 2-Amino-9(10H)-acridinone | AMAC

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Aminoacridin-9(10H)-one | 2-Amino-9(10H)-acridinone | AMAC

Especificações e pureza

Moligand™,≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

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

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)N

IUPAC Name

2-amino-10H-acridin-9-one

InChIKey

PIGCSKVALLVWKU-UHFFFAOYSA-N

INCHI

1S/C13H10N2O/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,14H2,(H,15,16)

SMILES isoméricas

C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)N

Peso molecular

210.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Acridones
• Alternative Parents: Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Aminoquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: 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: acridines

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

Propriedades químicas e físicas

• Solubilidade: DMF: soluble DMSO: soluble
• Sensibilidade: Light sensitive
• Peso molecular: 210.230 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 210.079 Da
• Monoisotopic Mass: 210.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 292.000
• 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