2-(Morpholinomethyl)benzophenone , CAS No.736075-46-0

CAS: 736075-46-0 Cat. No.: M1303685 Formule: C₁₈H₁₉NO₂ Poids moléculaire: 281.355 PubChem CID: 13072346

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Specifications

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Noms et identifiants

• Sourires canoniques: C1COCCN1CC2=CC=CC=C2C(=O)C3=CC=CC=C3
• IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl]-phenylmethanone
• InChIKey: RBGNDEVPFOAICT-UHFFFAOYSA-N
• INCHI: 1S/C18H19NO2/c20-18(15-6-2-1-3-7-15)17-9-5-4-8-16(17)14-19-10-12-21-13-11-19/h1-9H,10-14H2
• Isomères SMILES: C1COCCN1CC2=CC=CC=C2C(=O)C3=CC=CC=C3
• PubChem CID: 13072346
• Poids moléculaire: 281.355

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Aralkylamine - Oxazinane - Morpholine - Tertiary aliphatic amine - Tertiary amine - Ketone - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 281.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 281.142 Da
• Monoisotopic Mass: 281.142 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 332.000
• 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