Diphenyl ((6-methylpyridin-2-yl)(phenylamino)methyl)phosphonate - ≥95% , CAS No.614750-85-5

CAS: 614750-85-5 Cat. No.: D1044928 Peso molecular: 430.400

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC(=CC=C1)C(NC2=CC=CC=C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
• IUPAC Name: N-[diphenoxyphosphoryl-(6-methylpyridin-2-yl)methyl]aniline
• InChIKey: CXKJPVJQTPRXRT-UHFFFAOYSA-N
• INCHI: 1S/C25H23N2O3P/c1-20-12-11-19-24(26-20)25(27-21-13-5-2-6-14-21)31(28,29-22-15-7-3-8-16-22)30-23-17-9-4-10-18-23/h2-19,25,27H,1H3
• Peso molecular: 430.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Phenylalkylamines Secondary alkylarylamines Phosphonic acid diesters Methylpyridines Phosphonic acid esters Heteroaromatic compounds Azacyclic compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenylalkylamine - Methylpyridine - Secondary aliphatic/aromatic amine - Phosphonic acid diester - Phosphonic acid ester - Pyridine - Organophosphonic acid derivative - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• 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

Propiedades químicas y físicas

• Peso molecular: 430.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 430.145 Da
• Monoisotopic Mass: 430.145 Da
• Topological Polar Surface Area: 60.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 547.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1