2-(2-Naphthyl)quinoline - ≥90% , CAS No.47077-29-2

CAS: 47077-29-2 Cat. No.: N1247193 分子式: C₁₉H₁₃N 分子量: 255.32 PubChem CID: 3254624

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥90%

保管条件

Room temperature

入荷

Normal

純度

≥90%

名前と識別子

• カノニカル・スマイル: C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4C=C3
• IUPAC Name: 2-naphthalen-2-ylquinoline
• InChIKey: LPNLFJKYHYLXPE-UHFFFAOYSA-N
• INCHI: 1S/C19H13N/c1-2-7-16-13-17(10-9-14(16)5-1)19-12-11-15-6-3-4-8-18(15)20-19/h1-13H
• 異性体SMILES: C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4C=C3
• PubChem CID: 3254624
• 分子量: 255.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthylquinolines
• Alternative Parents: Naphthalenes Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthylquinoline - Naphthalene - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthylquinolines. These are polycyclic aromatic compounds containing a naphthene moiety linked to a quinoline through a CC or CN single bond.
• 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

化学的性質と物理的性質

• 分子量: 255.300 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 255.105 Da
• Monoisotopic Mass: 255.105 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 326.000
• 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