N,N′-Dimethyl-9,9′-biacridinium dinitrate - ≥97% , CAS No.2315-97-1

CAS: 2315-97-1 Cat. No.: D121467 Molecular Weight: 510.51 Beilstein Registry Number: 3901768 EC Number: 219-023-4

GRADE & PURITY ≥97%

Synonyms

Bis(N-methylacridinium) Nitrate | HY-D0720 | 10,10'-Dimethyl-9,9'-biacridinium nitrate | Dimethyl biacridinium dinitrate | 10,10'-Dimethyl-9,9'-biacridinium Dinitrate [for Chemiluminescence Research] | EINECS 219-023-4 | L 6868 | Lucigenin | NSC 151912 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Applications：
diagnostic assay manufacturing;hematology;histology

Specifications

Synonyms

Bis(N-methylacridinium) Nitrate | HY-D0720 | 10, 10'-Dimethyl-9, 9'-biacridinium nitrate | Dimethyl biacridinium dinitrate | 10, 10'-Dimethyl-9, 9'-biacridinium Dinitrate [for Chemiluminescence Research] | EINECS 219-023-4 | L 6868 | Lucigenin | NSC 151912 |

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
• IUPAC Name: 10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate
• InChIKey: KNJDBYZZKAZQNG-UHFFFAOYSA-N
• INCHI: 1S/C28H22N2.2NO3/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*2-1(3)4/h3-18H,1-2H3;;/q+2;2*-1
• Isomeric SMILES: C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
• WGK Germany: 3
• Molecular Weight: 510.51
• Beilstein: 3901768
• Reaxy-Rn: 3901768
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3901768&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Bipyridines and oligopyridines Pyridinium derivatives Benzenoids Organic nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - 4,4p-bipyridinium - Bipyridine - Pyridine - Pyridinium - Benzenoid - Organic nitrate - Heteroaromatic compound - Organic nitric acid - Organic nitric acid or derivatives - Organic nitro compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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: acetic acid: 10 mg/mL
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 245-250 °C
• Molecular Weight: 510.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 510.154 Da
• Monoisotopic Mass: 510.154 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 522.000
• 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: 3

XLogP3

References

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