10-(4-bromophenyl)-9,9-dimethyl-9,10-dihydroacridine - ≥98%(HPLC) , CAS No.1342892-15-2

CAS: 1342892-15-2 Cat. No.: B290632 Molecular Weight: 364.3

GRADE & PURITY ≥98%(HPLC)

Storage

Room temperature

Specifications

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488202491
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202491
• Canonical Smiles: CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)Br)C
• IUPAC Name: 10-(4-bromophenyl)-9,9-dimethylacridine
• InChIKey: YKFRPCRADQOKOA-UHFFFAOYSA-N
• INCHI: 1S/C21H18BrN/c1-21(2)17-7-3-5-9-19(17)23(16-13-11-15(22)12-14-16)20-10-6-4-8-18(20)21/h3-14H,1-2H3
• Isomeric SMILES: CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)Br)C
• Molecular Weight: 364.3
• Reaxy-Rn: 27763854
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27763854&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Triarylamines Acridines Aniline and substituted anilines Bromobenzenes Aryl bromides Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tertiary aromatic amine - Phenylquinoline - Acridine - Benzoquinoline - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 171.0 - 175.0 °C
• Molecular Weight: 364.300 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 363.062 Da
• Monoisotopic Mass: 363.062 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 386.000
• 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