(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride - ≥98% , CAS No.141043-16-5

CAS: 141043-16-5 Cat. No.: R404995 Peso molecular: 218.6 Número EC: 671-219-2 PubChem CID: 42614570

GRADE & PURITY ≥98%

Synonyms

J-007452 | (R)-3-(trifluoro-acetamido)pyrrolidine hydrochloride | A3044 | (R)-2,2,2-Trifluoro-N-(pyrrolidin-3-yl)acetamidehydrochloride | SCHEMBL1878764 | (R)-2,2,2-Trifluoro-N-(pyrrolidin-3-yl)acetamide hydrochloride | (3r)-(+)-3-trifluoroacetamidopyrrol

Storage

Room temperature

Specifications

Sinónimos

J-007452 | (R)-3-(trifluoro-acetamido)pyrrolidine hydrochloride | A3044 | (R)-2, 2, 2-Trifluoro-N-(pyrrolidin-3-yl)acetamidehydrochloride | SCHEMBL1878764 | (R)-2, 2, 2-Trifluoro-N-(pyrrolidin-3-yl)acetamide hydrochloride | (3r)-(+)-3-trifluoroacetamidopyrrol

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200904
• Sonrisas canónicas: C1CNCC1NC(=O)C(F)(F)F.Cl
• IUPAC Name: 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride
• InChIKey: CMZSIQCZAFAEDH-PGMHMLKASA-N
• INCHI: 1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-4-1-2-10-3-4;/h4,10H,1-3H2,(H,11,12);1H/t4-;/m1./s1
• Isómeros SMILES: C1CNC[C@@H]1NC(=O)C(F)(F)F.Cl
• PubChem CID: 42614570
• Peso molecular: 218.6
• Reaxy-Rn: 14403416

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Alkyl fluoride - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

• Sensibilidad: Light Sensitive
• Rotación específica [α]: 27° (C=1,H2O)
• Punto de fusión (°C): 235 °C
• Peso molecular: 218.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 218.043 Da
• Monoisotopic Mass: 218.043 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

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