1-Allylhydantoin - ≥98% , CAS No.3366-93-6

CAS: 3366-93-6 Cat. No.: A151198 Summenformel: C₆H₈N₂O₂ Molekulargewicht: 140.14 EG-Nummer: 675-676-9

GRADE & PURITY ≥98%

Synonyms

A821900 | AKOS025295171 | D88385 | MFCD00142580 | 1-prop-2-enylimidazolidine-2,4-dione | A1144 | Allylhydantoine | 1-Allylhydantoin; >98% | KPDTTZWHFZUVCL-UHFFFAOYSA-N | 1-Allylimidazolidine-2,4-dione | 1-Allylhydantoin | SCHEMBL2143430 | AS-60199 | 1-(pr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A821900 | AKOS025295171 | D88385 | MFCD00142580 | 1-prop-2-enylimidazolidine-2,4-dione | A1144 | Allylhydantoine | 1-Allylhydantoin; >98% | KPDTTZWHFZUVCL-UHFFFAOYSA-N | 1-Allylimidazolidine-2,4-dione | 1-Allylhydantoin | SCHEMBL2143430 | AS-60199 | 1-(pr

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488200028

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200028

Kanonisches Lächeln

C=CCN1CC(=O)NC1=O

IUPAC Name

1-prop-2-enylimidazolidine-2,4-dione

InChIKey

KPDTTZWHFZUVCL-UHFFFAOYSA-N

INCHI

1S/C6H8N2O2/c1-2-3-8-4-5(9)7-6(8)10/h2H,1,3-4H2,(H,7,9,10)

Isomere SMILES

C=CCN1CC(=O)NC1=O

Molekulargewicht

140.14

Reaxy-Rn

742509

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742509&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azolidines
      • Subclass Imidazolidines
        • Ebene5 Imidazolidinones
          • Ebene6 Imidazolidinediones
            • Ebene7 Hydantoins

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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 97 °C
• Molekulargewicht: 140.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.059 Da
• Monoisotopic Mass: 140.059 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 188.000
• 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