Tetramethylurea - analytical standard , CAS No.632-22-4

CAS: 632-22-4 Cat. No.: T110883 Fórmula: C₅H₁₂N₂O Peso molecular: 116.16 Beilstein Registry Number: 773898 Número CE: 211-173-9

GRADE & PURITY Analytical standard

Synonyms

Urea, tetramethyl- | Q26699773 | 4-04-00-00225 (Beilstein Handbook Reference) | Urea, 1,1,3,3-tetramethyl- | Tetramethylurea, 99% | UREA,1,1,3,3-TETRAMETHYL | BRN 0773898 | D70479 | n,n,n',n',-tetramethyl urea | urea, N,N,N',N'-tetramethyl- | N,N,N',N'-te

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Urea, tetramethyl- | Q26699773 | 4-04-00-00225 (Beilstein Handbook Reference) | Urea, 1,1,3,3-tetramethyl- | Tetramethylurea, 99% | UREA,1,1,3,3-TETRAMETHYL | BRN 0773898 | D70479 | n,n,n',n',-tetramethyl urea | urea, N,N,N',N'-tetramethyl- | N,N,N',N'-te

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Analytical standard

Nomes e identificadores

• Sorrisos canónicos: CN(C)C(=O)N(C)C
• IUPAC Name: 1,1,3,3-tetramethylurea
• InChIKey: AVQQQNCBBIEMEU-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
• SMILES isoméricas: CN(C)C(=O)N(C)C
• WGK Alemanha: 3
• RTECS: YU2625000
• Peso molecular: 116.16
• Beilstein: 773898
• Reaxy-Rn: 773898

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
• External Descriptors: ureas

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.4496-1.4516
• Ponto de inflamação (°F): 167 °F
• Ponto de inflamação (°C): 75℃
• Ponto de ebulição (°C): 174-178°C
• Ponto de fusão (°C): -1°C
• Peso molecular: 116.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.095 Da
• Monoisotopic Mass: 116.095 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.400
• 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

Referências

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2. Ying Zhang, Jian Ye, Yinzhi Jiang, Shuqin Jiang, Wei Xiao, Dongchu Wei.  (2023)  Alkylaluminum/Urea Hybrid Cocatalysts and Their Use in Iron-Catalyzed Oligomerization of Ethylene.  Macromolecular Reaction Engineering,  17  (3): (2300013).  [PMID:] [10.1002/mren.202300013]

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