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10-Methyl-9-phenylacridinium Perchlorate - >98.0%(HPLC)(N), high purity , CAS No.36519-61-6
Basic Description
Synonyms
10-METHYL-9-PHENYLACRIDIN-10-IUM PERCHLORATE | T72368 | AS-81213 | M1775 | AKOS015843773 | SCHEMBL156599 | 10-methyl-9phenyl-10-acridinium perchlorate | MFCD09038537 | 10-methyl-9-phenylacridin-10-ium;perchlorate | DTXSID20462489 | 10-Methyl-9-phenylacrid
Specifications & Purity
≥98%(HPLC)(N)
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
10-methyl-9-phenylacridin-10-ium;perchlorate
INCHI
InChI=1S/C20H16N.ClHO4/c1-21-18-13-7-5-11-16(18)20(15-9-3-2-4-10-15)17-12-6-8-14-19(17)21;2-1(3,4)5/h2-14H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
NRNCXGCGIKATGE-UHFFFAOYSA-M
Smiles
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O
Isomeric SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O
PubChem CID
11326154
Molecular Weight
369.8
Beilstein
20(3/4)4356
Reaxy-Rn
3840223
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Acetone
Molecular Weight
369.800 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
369.077 Da
Monoisotopic Mass
369.077 Da
Topological Polar Surface Area
78.200 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
418.000
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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