N-phenyl-2-Dibenzofuranamine - ≥97% , CAS No.861317-95-5

CAS: 861317-95-5 Cat. No.: N999215 Molecular Weight: 259.300

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)NC2=CC3=C(C=C2)OC4=CC=CC=C43
• IUPAC Name: N-phenyldibenzofuran-2-amine
• InChIKey: IABICDIEOYDAFF-UHFFFAOYSA-N
• INCHI: 1S/C18H13NO/c1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-12,19H
• Molecular Weight: 259.300

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Aniline and substituted anilines Primary aromatic amines Heteroaromatic compounds Furans Secondary amines Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Aniline or substituted anilines - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Furan - Heteroaromatic compound - Secondary amine - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan 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: 259.300 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 259.1 Da
• Monoisotopic Mass: 259.1 Da
• Topological Polar Surface Area: 25.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 325.000
• 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