1-Dodecil-hidantoína - ≥98%(GC) , CAS No.85391-28-2

CAS: 85391-28-2 Cat. No.: D154578 Fórmula: C₁₅H₂₈N₂O₂ Peso molecular: 268.40

GRADE & PURITY ≥98%(GC)

Synonyms

A841318 | FT-0642003 | EINECS 286-782-6 | MFCD00142675 | 1-Dodecylimidazolidine-2,4-dione | D2052 | 1-Dodecylhydantoin | 1-Laurylhydantoin | DTXSID20234562 | SCHEMBL162839 | AKOS009158543 | 1-N-Lauryl hydantoin | D89985 | 1-N-DODECYLHYDANTOIN

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A841318 | FT-0642003 | EINECS 286-782-6 | MFCD00142675 | 1-Dodecylimidazolidine-2,4-dione | D2052 | 1-Dodecylhydantoin | 1-Laurylhydantoin | DTXSID20234562 | SCHEMBL162839 | AKOS009158543 | 1-N-Lauryl hydantoin | D89985 | 1-N-DODECYLHYDANTOIN

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

528754361

Sorrisos canónicos

CCCCCCCCCCCCN1CC(=O)NC1=O

IUPAC Name

1-dodecylimidazolidine-2,4-dione

InChIKey

IHWNCNSXOZBQBX-UHFFFAOYSA-N

INCHI

1S/C15H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(18)16-15(17)19/h2-13H2,1H3,(H,16,18,19)

SMILES isoméricas

CCCCCCCCCCCCN1CC(=O)NC1=O

Peso molecular

268.40

Reaxy-Rn

47503589

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47503589&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 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
• 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): 100 °C
• Peso molecular: 268.390 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 268.215 Da
• Monoisotopic Mass: 268.215 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 279.000
• 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