Ethyl morpholine-2-carboxylate 2，2，2-trifluoroacetate - ≥95% , CAS No.1111640-52-8

CAS: 1111640-52-8 Cat. No.: E734005 Summenformel: C₉H₁₄F₃NO₅ Molekulargewicht: 273.21 PubChem CID: 56777006

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C1CNCCO1.C(=O)(C(F)(F)F)O
• IUPAC Name: ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid
• InChIKey: FTIOJRCDISXDJP-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO3.C2HF3O2/c1-2-10-7(9)6-5-8-3-4-11-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)
• Isomere SMILES: CCOC(=O)C1CNCCO1.C(=O)(C(F)(F)F)O
• PubChem CID: 56777006
• Molekulargewicht: 273.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines
        • Ebene5 Morpholine carboxylic acids and derivatives
          • Ebene6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Alpha-halocarboxylic acids Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Morpholine-2-carboxylic acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Secondary amine - Azacycle - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 273.210 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 273.082 Da
• Monoisotopic Mass: 273.082 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1111640-52-8, the molecular formula is C9H14F3NO5, and the molecular weight is 273.21 g/mol. InChIKey FTIOJRCDISXDJP-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.