9-Mesityl-10-methylacridinium Perchlorate - ≥98%(HPLC) , CAS No.674783-97-2

CAS: 674783-97-2 Cat. No.: M157877 Molecular Weight: 411.88 EC Number: 677-517-9 PubChem CID: 15953479

GRADE & PURITY ≥98%(HPLC)

Synonyms

[Acr-Mes]+(ClO4)- | 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium;perchlorate | 9-Mesityl-10-methylacridinium Perchlorate | 9-mesityl-10-methyl-acridinium perchlorate | T72817 | 10-Methyl-9-(2,4,6-trimethylphenyl)acridinium Perchlorate | BS-44058 | 9-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

[Acr-Mes]+(ClO4)- | 10-methyl-9-(2, 4, 6-trimethylphenyl)acridin-10-ium;perchlorate | 9-Mesityl-10-methylacridinium Perchlorate | 9-mesityl-10-methyl-acridinium perchlorate | T72817 | 10-Methyl-9-(2, 4, 6-trimethylphenyl)acridinium Perchlorate | BS-44058 | 9-

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504767989
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767989
• Canonical Smiles: CC1=CC(=C(C(=C1)C)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C.[O-]Cl(=O)(=O)=O
• IUPAC Name: 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium;perchlorate
• InChIKey: LFMBERYWDLWXNO-UHFFFAOYSA-M
• INCHI: 1S/C23H22N.ClHO4/c1-15-13-16(2)22(17(3)14-15)23-18-9-5-7-11-20(18)24(4)21-12-8-6-10-19(21)23;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)/q+1;/p-1
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C.[O-]Cl(=O)(=O)=O
• PubChem CID: 15953479
• Molecular Weight: 411.88
• Reaxy-Rn: 9678980

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: Acridines Phenylpyridines Pyridinium derivatives Organic perchlorates Organic perchlorate salts Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Acridine - Benzoquinoline - 4-phenylpyridine - Monocyclic benzene moiety - Organic perchlorate - Pyridine - Pyridinium - Benzenoid - Organic perchlorate salt - Heteroaromatic compound - Organic chlorate - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic salt - Organic cation - 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

• Solubility: Soluble in Acetone
• Sensitivity: light sensitive
• Molecular Weight: 411.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 411.124 Da
• Monoisotopic Mass: 411.124 Da
• Topological Polar Surface Area: 78.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 492.000
• 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: 2

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