Ethyl 4-morpholinobenzenecarboxylate - ≥98% , CAS No.19614-15-4

CAS: 19614-15-4 Cat. No.: E182474 Formule: C₁₃H₁₇NO₃ Poids moléculaire: 235.28

GRADE & PURITY ≥98%

Synonyms

Ethyl 4-(morpholin-4-yl)benzoate | FT-0680105 | SY014710 | 12Y-0815 | F2195-0003 | Ethyl 4-morpholinobenzenecarboxylate | FIZDMLRNYDAKPW-UHFFFAOYSA-N | Benzoic acid, 4-(4-morpholinyl)-, ethyl ester | CCG-290277 | A880107 | VU0494928-1 | AC7650 | AKOS00506

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

Ethyl 4-(morpholin-4-yl)benzoate | FT-0680105 | SY014710 | 12Y-0815 | F2195-0003 | Ethyl 4-morpholinobenzenecarboxylate | FIZDMLRNYDAKPW-UHFFFAOYSA-N | Benzoic acid, 4-(4-morpholinyl)-, ethyl ester | CCG-290277 | A880107 | VU0494928-1 | AC7650 | AKOS00506

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCOC(=O)C1=CC=C(C=C1)N2CCOCC2
• IUPAC Name: ethyl 4-morpholin-4-ylbenzoate
• InChIKey: FIZDMLRNYDAKPW-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO3/c1-2-17-13(15)11-3-5-12(6-4-11)14-7-9-16-10-8-14/h3-6H,2,7-10H2,1H3
• Isomères SMILES: CCOC(=O)C1=CC=C(C=C1)N2CCOCC2
• Poids moléculaire: 235.28
• Reaxy-Rn: 1582241
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1582241&ln=

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 Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 235.280 g/mol
• XLogP3: 2.600
• 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: 243.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 19614-15-4, the molecular formula is C13H17NO3, and the molecular weight is 235.28 g/mol. InChIKey FIZDMLRNYDAKPW-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.