9-Phenylacridine - ≥98% , CAS No.602-56-2

CAS: 602-56-2 Cat. No.: P160739 Formula: C₁₉H₁₃N Peso molecolare: 255.32 Numero EC: 210-020-3 PubChem CID: 69041

GRADE & PURITY ≥98%

Synonyms

EINECS 210-020-3 | MFCD00092562 | SCHEMBL194068 | 9-Phenylacridine | 9-Phenyl-acridine | D70866 | P1198 | NSC62730 | NSC-62730 | SY055415 | BIDD:GT0658 | 9-phenyl acridine | DTXSID00870669 | BCP25850 | InChI=1/C19H13N/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

EINECS 210-020-3 | MFCD00092562 | SCHEMBL194068 | 9-Phenylacridine | 9-Phenyl-acridine | D70866 | P1198 | NSC62730 | NSC-62730 | SY055415 | BIDD:GT0658 | 9-phenyl acridine | DTXSID00870669 | BCP25850 | InChI=1/C19H13N/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488184201
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184201
• Sorrisi canonici: C1=CC=C(C=C1)C2=C3C=CC=CC3=NC4=CC=CC=C42
• IUPAC Name: 9-phenylacridine
• InChIKey: MTRFEWTWIPAXLG-UHFFFAOYSA-N
• INCHI: 1S/C19H13N/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H
• Isomeri SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=NC4=CC=CC=C42
• PubChem CID: 69041
• Peso molecolare: 255.32
• Reaxy-Rn: 167139

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Acridines Phenylpyridines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Benzoquinoline - Acridine - 4-phenylpyridine - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl 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

Obiettivi associati (umani)

A2780 (11979 Activities)

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

Obiettivi associati (non umani)

L1210 (27553 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 184 °C
• Peso molecolare: 255.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 255.105 Da
• Monoisotopic Mass: 255.105 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 298.000
• 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

Riferimenti

1. Ping Liu, Yongjun Hu, Jiaxin Chen, Qing Yang.  (2015)  Direct detection of the anti-cancer drug 9-phenylacridine in tissues by graphite rod laser desorption vacuum-ultraviolet post-ionization mass spectrometry.  RAPID COMMUNICATIONS IN MASS SPECTROMETRY,  29  (14): (1328-1334).  [PMID:26405794] [10.1002/rcm.7226]