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

CAS: 192817-79-1 Cat. No.: M710193 Formula: C₁₃H₁₇NO₃ Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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