Diethyl N-(tert-Butoxycarbonyl)phosphoramidate - ≥98% , CAS No.85232-02-6

CAS: 85232-02-6 Cat. No.: D155692 Peso molecular: 253.23 Número EC: 678-028-3

GRADE & PURITY ≥98%

Synonyms

Diethyl N-(tert-Butoxycarbonyl)phosphoramidate | SCHEMBL14819108 | DTXSID80431616 | AS-69055 | MFCD00015667 | tert-Butyl (diethoxyphosphoryl)carbamate | Tert-butyl N-diethoxyphosphorylcarbamate | AKOS015838165 | FT-0702094 | tert-butyl N-(diethoxyphosphor

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Diethyl N-(tert-Butoxycarbonyl)phosphoramidate | SCHEMBL14819108 | DTXSID80431616 | AS-69055 | MFCD00015667 | tert-Butyl (diethoxyphosphoryl)carbamate | Tert-butyl N-diethoxyphosphorylcarbamate | AKOS015838165 | FT-0702094 | tert-butyl N-(diethoxyphosphor

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOP(=O)(NC(=O)OC(C)(C)C)OCC
• IUPAC Name: tert-butyl N-diethoxyphosphorylcarbamate
• InChIKey: MJJRHRHTDZXUKY-UHFFFAOYSA-N
• INCHI: 1S/C9H20NO5P/c1-6-13-16(12,14-7-2)10-8(11)15-9(3,4)5/h6-7H2,1-5H3,(H,10,11,12)
• Isómeros SMILES: CCOP(=O)(NC(=O)OC(C)(C)C)OCC
• Peso molecular: 253.23
• Reaxy-Rn: 4419379
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4419379&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: Phosphate esters
• Alternative Parents: Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphoric acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phosphate esters. These are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl 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

• Sensibilidad: Hygroscopic；Moisture sensitive
• Punto de fusión (°C): 70 °C
• Peso molecular: 253.230 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 253.108 Da
• Monoisotopic Mass: 253.108 Da
• Topological Polar Surface Area: 73.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264.000
• 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