GRADE & PURITY ≥95%

Synonyms

OIGQTUBEBRLSOX-UHFFFAOYSA-N | SCHEMBL2031067 | A872813 | diethyl 4-aminophenylphosphonate | MFCD00272195 | 4-diethoxyphosphorylaniline | NSC118225 | NSC-118225 | diethyl (4-aminophenyl)phosphonate | DTXSID10297808 | AKOS015962741 | F14031 | AS-61703 | (4-

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

OIGQTUBEBRLSOX-UHFFFAOYSA-N | SCHEMBL2031067 | A872813 | diethyl 4-aminophenylphosphonate | MFCD00272195 | 4-diethoxyphosphorylaniline | NSC118225 | NSC-118225 | diethyl (4-aminophenyl)phosphonate | DTXSID10297808 | AKOS015962741 | F14031 | AS-61703 | (4-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCOP(=O)(C1=CC=C(C=C1)N)OCC
• IUPAC Name: 4-diethoxyphosphorylaniline
• InChIKey: OIGQTUBEBRLSOX-UHFFFAOYSA-N
• INCHI: 1S/C10H16NO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
• Isómeros SMILES: CCOP(=O)(C1=CC=C(C=C1)N)OCC
• Peso molecular: 229.21
• Reaxy-Rn: 2941120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941120&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Phosphonic acid diesters Phosphonic acid esters Primary amines Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Punto de inflamación (°C): 160.4°C
• Punto de ebullición (°C): 341.6°C at 760 mmHg
• Peso molecular: 229.210 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 229.087 Da
• Monoisotopic Mass: 229.087 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 217.000
• 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