Diethyl Phosphoramidate - ≥98%(GC) , CAS No.1068-21-9

CAS: 1068-21-9 Cat. No.: D155691 Peso molecular: 153.12 Beilstein Registry Number: 1(3)1329 Número EC: 627-792-6

GRADE & PURITY ≥98%(GC)

Synonyms

[amino(ethoxy)phosphoryl]oxyethane | NSC56755 | NSC-56755 | (AMINO(ETHOXY)PHOSPHORYL)OXYETHANE | MFCD00015676 | AKOS009031426 | NSC 56755 | Amidophosphoric acid diethyl ester | diethoxyphosphorylamine | (diethoxyphosphoryl)amine | SY051911 | Diethyl phosp

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Sinónimos

[amino(ethoxy)phosphoryl]oxyethane | NSC56755 | NSC-56755 | (AMINO(ETHOXY)PHOSPHORYL)OXYETHANE | MFCD00015676 | AKOS009031426 | NSC 56755 | Amidophosphoric acid diethyl ester | diethoxyphosphorylamine | (diethoxyphosphoryl)amine | SY051911 | Diethyl phosp

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Cool

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184555
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184555
• Sonrisas canónicas: CCOP(=O)(N)OCC
• IUPAC Name: [amino(ethoxy)phosphoryl]oxyethane
• InChIKey: MCQILDHFZKTBOD-UHFFFAOYSA-N
• INCHI: 1S/C4H12NO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H2,5,6)
• Isómeros SMILES: CCOP(=O)(N)OCC
• WGK Alemania: 3
• Peso molecular: 153.12
• Beilstein: 1(3)1329
• Reaxy-Rn: 1704111
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1704111&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphoric diester monoamides
• Alternative Parents: Organic phosphoramides Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphoric diester monoamide - Organic phosphoric acid amide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phosphoric diester monoamides. These are organophosphorus compounds containing a monoamide derivative of a phosphoric acid diester functional group. They have the general structure R1OP(=O)(OR2)N(R3)R4, where R1-R2 = organyl group and R3-R4 = H or organyl.
• 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

• Sensibilidad: Moisture sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 140°C/3mmHg(lit.)
• Punto de fusión (°C): 50-55 °C
• Peso molecular: 153.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 153.055 Da
• Monoisotopic Mass: 153.055 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 106.000
• 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