1,3-Dimetil-2-imidazolidinona - ≥99%(GC) , CAS No.80-73-9

CAS: 80-73-9 Cat. No.: D109179 Peso molecular: 114.15 Beilstein Registry Number: 108808 Número EC: 201-304-8

GRADE & PURITY ≥99%(GC)

Synonyms

1,3-dimetil-2-imidazolidinona (DMI) | N,N'-Dimetiletilenurea

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

la 1,3-dimetil-2-imidazolidinona (DMI) es un derivado de la imidazolidina. Se dice que actúa como promotor minimizando la formación de subproductos de dialquilación y acelerando la velocidad de monoalquilación de la γ-butirolactona. Se ha investigado la conversión de CO2 para formar alcoholes inferiores mediante hidrogenación catalítica homogénea utilizando DMI como disolvente.

Specifications

Sinónimos

1, 3-dimetil-2-imidazolidinona (DMI) | N, N'-Dimetiletilenurea

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(C1=O)C
• IUPAC Name: 1,3-dimethylimidazolidin-2-one
• InChIKey: CYSGHNMQYZDMIA-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
• Isómeros SMILES: CN1CCN(C1=O)C
• WGK Alemania: 3
• RTECS: NJ0660000
• Número ONU: 2810
• Peso molecular: 114.15
• Beilstein: 108808
• Reaxy-Rn: 108808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolidinones
• Alternative Parents: Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidazolidinone - Urea - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazolidinones. These are organic compounds containing an imidazolidinone moiety, which is an imidazolidine ring bearing a ketone.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: mixed with ether, alcohol and chloroform
• Sensibilidad: Moisture sensitive；Heat sensitive
• Índice de refracción: 1.472
• Punto de inflamación (°C): 120 °C
• Punto de ebullición (°C): 224-226°C
• Punto de fusión (°C): 8.2°C
• Peso molecular: 114.150 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.079 Da
• Monoisotopic Mass: 114.079 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 101.000
• 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

Referencias

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