9,10-Dihydroacridine - ≥98% , CAS No.92-81-9

CAS: 92-81-9 Cat. No.: D156017 Molecular Weight: 181.24 EC Number: 202-192-3

GRADE & PURITY ≥98%

Synonyms

BDBM50012868 | D5058 | InChI=1/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H | SY056562 | DTXSID4073887 | UNII-ITV7RA4Y9P | 9,10-Dihydroacridine | 9,10-Dihydro-acridine | 9,10-Dihydroacridine # | Acridane | EINECS 202-192-3 | Acridine, 9,1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BDBM50012868 | D5058 | InChI=1/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8, 14H, 9H | SY056562 | DTXSID4073887 | UNII-ITV7RA4Y9P | 9, 10-Dihydroacridine | 9, 10-Dihydro-acridine | 9, 10-Dihydroacridine # | Acridane | EINECS 202-192-3 | Acridine, 9, 1

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180290
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180290
• Canonical Smiles: C1C2=CC=CC=C2NC3=CC=CC=C31
• IUPAC Name: 9,10-dihydroacridine
• InChIKey: HJCUTNIGJHJGCF-UHFFFAOYSA-N
• INCHI: 1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2
• Isomeric SMILES: C1C2=CC=CC=C2NC3=CC=CC=C31
• RTECS: AR6950000
• Molecular Weight: 181.24
• Reaxy-Rn: 133938
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133938&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: Benzenoids Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

U-937 (7138 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (slightly at 25 °C).
• Sensitivity: Air Sensitive,Heat Sensitive
• Boil Point(°C): 348 °C
• Melt Point(°C): 171 °C
• Molecular Weight: 181.230 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 181.089 Da
• Monoisotopic Mass: 181.089 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 181.000
• 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