1-tert-butoxycarbonyl-5,5-difluoro-piperidine-2-carboxylic acid - ≥97% , CAS No.1255663-95-6

CAS: 1255663-95-6 Cat. No.: T627798 Peso molecular: 265.25 Número EC: 859-098-6 PubChem CID: 73553998

GRADE & PURITY ≥97%

Synonyms

MFCD18433619 | SY259297 | LOIFBZRYZNAAAU-UHFFFAOYSA-N | SB23202 | 1-(tert-butoxycarbonyl)-5,5-difluoro-2-piperidinecarboxylic acid | DTXSID701143981 | EN300-7404031 | 1-[(tert-butoxy)carbonyl]-5,5-difluoropiperidine-2-carboxylic acid | Z1505692014 | AS-39

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD18433619 | SY259297 | LOIFBZRYZNAAAU-UHFFFAOYSA-N | SB23202 | 1-(tert-butoxycarbonyl)-5, 5-difluoro-2-piperidinecarboxylic acid | DTXSID701143981 | EN300-7404031 | 1-[(tert-butoxy)carbonyl]-5, 5-difluoropiperidine-2-carboxylic acid | Z1505692014 | AS-39

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC(CCC1C(=O)O)(F)F
• IUPAC Name: 5,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
• InChIKey: LOIFBZRYZNAAAU-UHFFFAOYSA-N
• INCHI: 1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-6-11(12,13)5-4-7(14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC(CCC1C(=O)O)(F)F
• CAS alternativo: 1255663-95-6
• PubChem CID: 73553998
• Peso molecular: 265.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Piperidinecarboxylic acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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: 265.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 265.113 Da
• Monoisotopic Mass: 265.113 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 351.000
• 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: 1