2,4-Dimethyl-3'-morpholinomethyl benzophenone , CAS No.898765-56-5

CAS: 898765-56-5 Cat. No.: D966733 Formula: C₂₀H₂₃NO₂ Peso molecolare: 309.409 PubChem CID: 24724689

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

CC1=CC(=C(C=C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3)C

IUPAC Name

(2,4-dimethylphenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone

InChIKey

SCWJCLUVVUTRQC-UHFFFAOYSA-N

INCHI

1S/C20H23NO2/c1-15-6-7-19(16(2)12-15)20(22)18-5-3-4-17(13-18)14-21-8-10-23-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3

Isomeri SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3)C

PubChem CID

24724689

Peso molecolare

309.409

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 m-Xylenes Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Benzylamine - M-xylene - Xylene - Aryl ketone - Phenylmethylamine - Aralkylamine - Morpholine - Oxazinane - Ketone - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 309.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 309.173 Da
• Monoisotopic Mass: 309.173 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 391.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 898765-56-5, the molecular formula is C20H23NO2, and the molecular weight is 309.409 g/mol. InChIKey SCWJCLUVVUTRQC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.