Methyl morpholine-2-carboxylate 2,2,2-trifluoroacetate - ≥95% , CAS No.1373253-22-5

CAS: 1373253-22-5 Cat. No.: M190739 Peso molecular: 259.18 PubChem CID: 56965758

GRADE & PURITY ≥95%

Synonyms

C8H12F3NO5 | Methylmorpholine-2-carboxylate2,2,2-trifluoroacetate | DTXSID10719237 | AS-33277 | MEZYADQKFXKWSH-UHFFFAOYSA-N | 1373253-22-5 | Methyl morpholine-2-carboxylate 2,2,2-trifluoroacetate | 2-Morpholinecarboxylic acid, methyl ester, 2,2,2-trifluor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

C8H12F3NO5 | Methylmorpholine-2-carboxylate2, 2, 2-trifluoroacetate | DTXSID10719237 | AS-33277 | MEZYADQKFXKWSH-UHFFFAOYSA-N | 1373253-22-5 | Methyl morpholine-2-carboxylate 2, 2, 2-trifluoroacetate | 2-Morpholinecarboxylic acid, methyl ester, 2, 2, 2-trifluor

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1CNCCO1.C(=O)(C(F)(F)F)O
• IUPAC Name: methyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid
• InChIKey: MEZYADQKFXKWSH-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO3.C2HF3O2/c1-9-6(8)5-4-7-2-3-10-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)
• Isómeros SMILES: COC(=O)C1CNCCO1.C(=O)(C(F)(F)F)O
• PubChem CID: 56965758
• Peso molecular: 259.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines
        • Level5 Morpholine carboxylic acids and derivatives
          • Level6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Methyl esters Alpha-halocarboxylic acids 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 - Methyl ester - 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 259.180 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 259.067 Da
• Monoisotopic Mass: 259.067 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 210.000
• 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

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