3'-Azetidinomethyl-2-methoxybenzophenone , CAS No.898771-28-3

CAS: 898771-28-3 Cat. No.: A1278180 Peso molecular: 281.3

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=CC=C1C(=O)C2=CC=CC(=C2)CN3CCC3
• IUPAC Name: [3-(azetidin-1-ylmethyl)phenyl]-(2-methoxyphenyl)methanone
• InChIKey: PPBONMNEJGWIGV-UHFFFAOYSA-N
• INCHI: 1S/C18H19NO2/c1-21-17-9-3-2-8-16(17)18(20)15-7-4-6-14(12-15)13-19-10-5-11-19/h2-4,6-9,12H,5,10-11,13H2,1H3
• Peso molecular: 281.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Benzoyl derivatives Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Azetidines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Anisole - Benzoyl - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Azetidine - Ketone - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 281.300 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• 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: 353.000
• 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