1-Methylimidazolidin-2-one - ≥95% , CAS No.694-32-6

CAS: 694-32-6 Cat. No.: M304416 Peso molecular: 100.12 Número EC: 695-314-3

GRADE & PURITY ≥95%

Synonyms

1-Methyl-2-imidazolidone | BBL103390 | DTXSID30219522 | MFCD00800601 | N-methylimidazolidin-2-one | Z336079928 | 1-Methyl-2-imidazolidinone, AldrichCPR | 1-Methyl-imidazolidin-2-one | 1-Methylimidazolidin-2-one | N-Methyl-2-imidazolidone | 1-methylimidazo

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

1-Methyl-2-imidazolidone | BBL103390 | DTXSID30219522 | MFCD00800601 | N-methylimidazolidin-2-one | Z336079928 | 1-Methyl-2-imidazolidinone, AldrichCPR | 1-Methyl-imidazolidin-2-one | 1-Methylimidazolidin-2-one | N-Methyl-2-imidazolidone | 1-methylimidazo

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488190342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190342
• Sonrisas canónicas: CN1CCNC1=O
• IUPAC Name: 1-methylimidazolidin-2-one
• InChIKey: JTPZTKBRUCILQD-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O/c1-6-3-2-5-4(6)7/h2-3H2,1H3,(H,5,7)
• Isómeros SMILES: CN1CCNC1=O
• Peso molecular: 100.12
• Reaxy-Rn: 107745
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107745&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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de ebullición (°C): 289.8°C at 760 mmHg
• Peso molecular: 100.120 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.064 Da
• Monoisotopic Mass: 100.064 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 91.700
• 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