9-Acridinecarboxylic Acid Hydrate - ≥97%(HPLC) , CAS No.332927-03-4

CAS: 332927-03-4 Cat. No.: A151008 Molecular Weight: 223.23 Beilstein Registry Number: 171327 EC Number: 629-212-7

GRADE & PURITY ≥97%(HPLC)

Synonyms

Acridine-9-carboxylic acid xhydrate | SCHEMBL2991911 | FT-0661409 | ZQAZWHSZYVXGMP-UHFFFAOYSA-N | Acridine-9-carboxylic acid hydrate | FT-0775073 | SY029727 | MFCD00149578 | Acridine-9-carboxylicacidxhydrate | 9-Acridinecarboxylic acid hydrate, 97% | acri

Storage

Room temperature

Shipped In

Normal

Overview

Product Application：

9-Acridinecarboxylic acid hydrate has been used to synthesize a DNA intercalator in order to capture double-stranded DNAs (dsDNAs) duplex from the solution.

Specifications

Synonyms

Acridine-9-carboxylic acid xhydrate | SCHEMBL2991911 | FT-0661409 | ZQAZWHSZYVXGMP-UHFFFAOYSA-N | Acridine-9-carboxylic acid hydrate | FT-0775073 | SY029727 | MFCD00149578 | Acridine-9-carboxylicacidxhydrate | 9-Acridinecarboxylic acid hydrate, 97% | acri

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488199114
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199114
• Canonical Smiles: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)O.O
• IUPAC Name: acridine-9-carboxylic acid;hydrate
• InChIKey: ZQAZWHSZYVXGMP-UHFFFAOYSA-N
• INCHI: 1S/C14H9NO2.H2O/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H,16,17);1H2
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)O.O
• WGK Germany: 3
• Molecular Weight: 223.23
• Beilstein: 171327
• Reaxy-Rn: 13779631
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13779631&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: Quinoline carboxylic acids Pyridinecarboxylic acids Hydroxypyridines Heterocyclic fatty acids Branched fatty acids Unsaturated fatty acids Benzenoids Secondary ketimines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Quinoline-4-carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Hydroxypyridine - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Pyridine - Heteroaromatic compound - Secondary ketimine - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - 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

• Molecular Weight: 241.240 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 241.074 Da
• Monoisotopic Mass: 241.074 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 283.000
• 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

XLogP3