2-Morpholin-4-Yl-Benzoic Acid Ethyl Ester - ≥95% , CAS No.192817-79-1

CAS: 192817-79-1 Cat. No.: M710193 Fórmula: C₁₃H₁₇NO₃ Peso molecular: 235.28

GRADE & PURITY ≥95%

Synonyms

2-(4-Morpholinyl)-Benzoic Acid Ethyl Ester | Ethyl 2-morpholinobenzoate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-(4-Morpholinyl)-Benzoic Acid Ethyl Ester | Ethyl 2-morpholinobenzoate

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CCOC(=O)C1=CC=CC=C1N2CCOCC2

IUPAC Name

ethyl 2-morpholin-4-ylbenzoate

InChIKey

UIVDSGDHUXOYDW-UHFFFAOYSA-N

INCHI

1S/C13H17NO3/c1-2-17-13(15)11-5-3-4-6-12(11)14-7-9-16-10-8-14/h3-6H,2,7-10H2,1H3

SMILES isoméricas

CCOC(=O)C1=CC=CC=C1N2CCOCC2

Peso molecular

235.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Benzoic acid esters Aminobenzoic acids and derivatives Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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: 235.280 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 235.121 Da
• Monoisotopic Mass: 235.121 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 251.000
• 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