5-Ethylhydantoin - ≥92% , CAS No.15414-82-1

CAS: 15414-82-1 Cat. No.: E156340 Formula: C₅H₈N₂O₂ Molecular Weight: 128.13 EC Number: 842-403-1

GRADE & PURITY ≥92%

Synonyms

2,4-Imidazolidinedione, 5-ethyl-|5-ethylimidazolidine-2,4-dione|5-Ethylhydantoin|HYDANTOIN, 5-ETHYL-|5-Ethyl-2,4-imidazolidinedione #|5-ethylimidazoline-2,4-dione|2-Ethylhydantoin|5-Ethyl-2,4-imidazolidinedione

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2,4-Imidazolidinedione, 5-ethyl- | 5-ethylimidazolidine-2,4-dione | 5-Ethylhydantoin | HYDANTOIN, 5-ETHYL- | 5-Ethyl-2,4-imidazolidinedione # | 5-ethylimidazoline-2,4-dione | 2-Ethylhydantoin | 5-Ethyl-2,4-imidazolidinedione

Specifications & Purity

≥92%

Storage

Room temperature

Shipped In

Normal

Purity

≥92%

Names and Identifiers

Pubchem Sid

488189045

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189045

Canonical Smiles

CCC1C(=O)NC(=O)N1

IUPAC Name

5-ethylimidazolidine-2,4-dione

InChIKey

RSBRXBZGVHQUJK-UHFFFAOYSA-N

INCHI

1S/C5H8N2O2/c1-2-3-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)

Isomeric SMILES

CCC1C(=O)NC(=O)N1

Molecular Weight

128.13

Reaxy-Rn

118295

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118295&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas Dicarboximides Azacyclic compounds Organopnictogen 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 - Ureide - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• x_melt_point_char: 120 °C
• Molecular Weight: 128.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.059 Da
• Monoisotopic Mass: 128.059 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 155.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥92% 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 15414-82-1, the molecular formula is C5H8N2O2, and the molecular weight is 128.13 g/mol. InChIKey RSBRXBZGVHQUJK-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.