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

CAS: 1068-21-9 Cat. No.: D155691 Molecular Weight: 153.12 Beilstein Registry Number: 1(3)1329 EC Number: 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

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

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488184555
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184555
• Canonical Smiles: 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)
• Isomeric SMILES: CCOP(=O)(N)OCC
• WGK Germany: 3
• Molecular Weight: 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
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 140°C/3mmHg(lit.)
• Melt Point(°C): 50-55 °C
• Molecular Weight: 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