Diethyl 5-hydantoylphosphonate - ≥98% , CAS No.95378-36-2

CAS: 95378-36-2 Cat. No.: D351591 Fórmula: C₇H₁₃N₂O₅P Peso molecular: 236.16

GRADE & PURITY ≥98%

Synonyms

STR08723 | AKOS024371034 | DTXSID00393222 | PNQYQNIOVAYJJG-UHFFFAOYSA-N | diethyl 2,4-dioxoimidazoline-5-phosphonate | F20864 | methyltitanium(iv) triisopropoxide | diethyl 5-hydantoylphosphonate | MFCD00835392 | Phosphonic acid, (2,5-dioxo-4-imidazolidin

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

STR08723 | AKOS024371034 | DTXSID00393222 | PNQYQNIOVAYJJG-UHFFFAOYSA-N | diethyl 2,4-dioxoimidazoline-5-phosphonate | F20864 | methyltitanium(iv) triisopropoxide | diethyl 5-hydantoylphosphonate | MFCD00835392 | Phosphonic acid, (2,5-dioxo-4-imidazolidin

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488194431

Sorrisos canónicos

CCOP(=O)(C1C(=O)NC(=O)N1)OCC

IUPAC Name

5-diethoxyphosphorylimidazolidine-2,4-dione

InChIKey

PNQYQNIOVAYJJG-UHFFFAOYSA-N

INCHI

1S/C7H13N2O5P/c1-3-13-15(12,14-4-2)6-5(10)8-7(11)9-6/h6H,3-4H2,1-2H3,(H2,8,9,10,11)

SMILES isoméricas

CCOP(=O)(C1C(=O)NC(=O)N1)OCC

Peso molecular

236.16

Reaxy-Rn

4809527

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4809527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas Dialkyl alkylphosphonates Phosphonic acid esters Dicarboximides Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - N-acyl urea - Dialkyl alkylphosphonate - Ureide - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 159-161°C
• Peso molecular: 236.160 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 236.056 Da
• Monoisotopic Mass: 236.056 Da
• Topological Polar Surface Area: 93.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 309.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 95378-36-2, the molecular formula is C7H13N2O5P, and the molecular weight is 236.16 g/mol. InChIKey PNQYQNIOVAYJJG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.