7,10-Dimethylbenz[c]acridine - ≥97% , CAS No.2381-40-0

CAS: 2381-40-0 Cat. No.: D293423 Molecular Weight: 257.3291 EC Number: 631-051-2

GRADE & PURITY ≥97%

Synonyms

7,10-Dimethylbenz[c]acridine|2381-40-0|7,10-Dimethylbenzo[c]acridine|7,10-DIMETHYLBENZ(C)ACRIDINE|6,9-Dimethyl-1,2-benzacridine|2,10-Dimethyl-7,8-benzacridine|Benz[c]acridine, 7,10-dimethyl-|Benz[c]acridine,7,10-dimethyl-|4T32F8U46T|Benz(c)acridine, 7,10-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

7, 10-Dimethylbenz[c]acridine | 2381-40-0 | 7, 10-Dimethylbenzo[c]acridine | 7, 10-DIMETHYLBENZ(C)ACRIDINE | 6, 9-Dimethyl-1, 2-benzacridine | 2, 10-Dimethyl-7, 8-benzacridine | Benz[c]acridine, 7, 10-dimethyl- | Benz[c]acridine, 7, 10-dimethyl- | 4T32F8U46T | Benz(c)acridine, 7, 10-

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC2=NC3=C(C=CC4=CC=CC=C43)C(=C2C=C1)C
• IUPAC Name: 7,10-dimethylbenzo[c]acridine
• InChIKey: RCWNHXIFXQTICS-UHFFFAOYSA-N
• INCHI: 1S/C19H15N/c1-12-7-9-15-13(2)16-10-8-14-5-3-4-6-17(14)19(16)20-18(15)11-12/h3-11H,1-2H3
• Isomeric SMILES: CC1=CC2=NC3=C(C=CC4=CC=CC=C43)C(=C2C=C1)C
• Molecular Weight: 257.3291
• Reaxy-Rn: 192194
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=192194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Benzacridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Benzacridines
• Alternative Parents: Naphthalenes Methylpyridines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benz-c-acridine - Naphthalene - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzacridines. These are organic heterocyclic compounds with a structure characterized by a benzene ring fused to an acridine ring system.
• 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

• Melt Point(°C): 147-149 °C (lit.)
• Molecular Weight: 257.300 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 257.12 Da
• Monoisotopic Mass: 257.12 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 352.000
• 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