1-Acetyl-2-imidazolidinone - ≥98%(GC) , CAS No.5391-39-9

CAS: 5391-39-9 Cat. No.: A133901 Peso molecular: 128.13 Beilstein Registry Number: 24(5)1,40 Número EC: 226-388-3

GRADE & PURITY ≥98%(GC)

Synonyms

1-acetyl-imidazolidine-2-one | AKOS006343468 | N-acetyl-imidazolid-2-one | SCHEMBL440183 | EINECS 226-388-3 | N-acetyl-2imidazolidinone | N-Acetyl-2-Imidazolidinone | Carbamic chloride, N,N-bis(1-methylethyl)- | I618FH9ZLM | 1- Acetyl-imidazolidin-2-on |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-acetyl-imidazolidine-2-one | AKOS006343468 | N-acetyl-imidazolid-2-one | SCHEMBL440183 | EINECS 226-388-3 | N-acetyl-2imidazolidinone | N-Acetyl-2-Imidazolidinone | Carbamic chloride, N, N-bis(1-methylethyl)- | I618FH9ZLM | 1- Acetyl-imidazolidin-2-on |

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185719
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185719
• Sonrisas canónicas: CC(=O)N1CCNC1=O
• IUPAC Name: 1-acetylimidazolidin-2-one
• InChIKey: JJWACYUTERPMBM-UHFFFAOYSA-N
• INCHI: 1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
• Isómeros SMILES: CC(=O)N1CCNC1=O
• Peso molecular: 128.13
• Beilstein: 24(5)1,40
• Reaxy-Rn: 116079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives
      • Subclass Ureas
        • Level5 Ureides
          • Level6 N-acyl ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Ureides
• Direct Parent: N-acyl ureas
• Alternative Parents: Imidazolidinones Dicarboximides Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-acyl urea - Imidazolidinone - Dicarboximide - Imidazolidine - Acetamide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl group.
• 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 185 °C
• Peso molecular: 128.130 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.059 Da
• Monoisotopic Mass: 128.059 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 155.000
• 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