N-(4-Oxocyclohexyl)phthalimide - ≥98% , CAS No.104618-32-8

CAS: 104618-32-8 Cat. No.: N158891 Peso molecular: 243.26 Número EC: 980-672-8

GRADE & PURITY ≥98%

Synonyms

PWUJQPNLEZZILN-UHFFFAOYSA-N | 4-(Phthalimido)-cyclohexanone | DTXSID10475523 | O10482 | 1H-Isoindole-1,3(2H)-dione, 2-(4-oxocyclohexyl)- | N-(4-Oxocyclohexyl) Phthalimide | Z1341370440 | SB30365 | SCHEMBL633891 | SY053034 | AKOS000369805 | AC-3543 | AMY14

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

PWUJQPNLEZZILN-UHFFFAOYSA-N | 4-(Phthalimido)-cyclohexanone | DTXSID10475523 | O10482 | 1H-Isoindole-1, 3(2H)-dione, 2-(4-oxocyclohexyl)- | N-(4-Oxocyclohexyl) Phthalimide | Z1341370440 | SB30365 | SCHEMBL633891 | SY053034 | AKOS000369805 | AC-3543 | AMY14

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197836
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197836
• Sonrisas canónicas: C1CC(=O)CCC1N2C(=O)C3=CC=CC=C3C2=O
• IUPAC Name: 2-(4-oxocyclohexyl)isoindole-1,3-dione
• InChIKey: PWUJQPNLEZZILN-UHFFFAOYSA-N
• INCHI: 1S/C14H13NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9H,5-8H2
• Isómeros SMILES: C1CC(=O)CCC1N2C(=O)C3=CC=CC=C3C2=O
• Peso molecular: 243.26
• Reaxy-Rn: 6331944
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6331944&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Ketone - Cyclic ketone - Carboxylic acid derivative - Azacycle - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

• Punto de fusión (°C): 144 °C
• Peso molecular: 243.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 243.09 Da
• Monoisotopic Mass: 243.09 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 370.000
• 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