5,6-Diphenyl-2-morpholinone - ≥98% , CAS No.19180-79-1

CAS: 19180-79-1 Cat. No.: D134338 Fórmula: C₁₆H₁₅NO₂ Peso molecular: 253.3

GRADE & PURITY ≥98%

Synonyms

SY003025 | METHYL6-HYDROXY-2-NAPHTHOATE | SC1215 | MFCD09835325 | MFCD09750982 | FT-0717841 | MFCD09751026 | A880353 | BCP21215 | DTXSID80633390 | SCHEMBL7306016 | 2-Morpholinone, 5,6-diphenyl- | MB07598 | SY001018 | DS-1138 | 5,6-DIPHENYL-2-MORPHOLINONE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY003025 | METHYL6-HYDROXY-2-NAPHTHOATE | SC1215 | MFCD09835325 | MFCD09750982 | FT-0717841 | MFCD09751026 | A880353 | BCP21215 | DTXSID80633390 | SCHEMBL7306016 | 2-Morpholinone, 5,6-diphenyl- | MB07598 | SY001018 | DS-1138 | 5,6-DIPHENYL-2-MORPHOLINONE

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1C(=O)OC(C(N1)C2=CC=CC=C2)C3=CC=CC=C3

IUPAC Name

5,6-diphenylmorpholin-2-one

InChIKey

LTPOSIZJPSDSIL-UHFFFAOYSA-N

INCHI

1S/C16H15NO2/c18-14-11-17-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2

SMILES isoméricas

C1C(=O)OC(C(N1)C2=CC=CC=C2)C3=CC=CC=C3

Peso molecular

253.3

Reaxy-Rn

34964365

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34964365&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alpha amino acid esters Phenylmorpholines Aralkylamines Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Alpha-amino acid ester - Phenylmorpholine - Alpha-amino acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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: 253.290 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.11 Da
• Monoisotopic Mass: 253.11 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 306.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1