2-Methoxy-2'-morpholinomethyl benzophenone - ≥95% , CAS No.898749-96-7

CAS: 898749-96-7 Cat. No.: M1270747 Fórmula: C₁₉H₂₁NO₃ Peso molecular: 311.381 PubChem CID: 24725127

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: COC1=CC=CC=C1C(=O)C2=CC=CC=C2CN3CCOCC3
• IUPAC Name: (2-methoxyphenyl)-[2-(morpholin-4-ylmethyl)phenyl]methanone
• InChIKey: PWSUJBQYISDSET-UHFFFAOYSA-N
• INCHI: 1S/C19H21NO3/c1-22-18-9-5-4-8-17(18)19(21)16-7-3-2-6-15(16)14-20-10-12-23-13-11-20/h2-9H,10-14H2,1H3
• SMILES isoméricas: COC1=CC=CC=C1C(=O)C2=CC=CC=C2CN3CCOCC3
• PubChem CID: 24725127
• Peso molecular: 311.381

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 Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Benzoyl derivatives Alkyl aryl ethers Aralkylamines Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers 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 - Oxazinane - Morpholine - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Azacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 311.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 311.152 Da
• Monoisotopic Mass: 311.152 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 381.000
• 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