4-aminopiperidin-2-one trifluoroacetate - ≥97% , CAS No.1523618-06-5

CAS: 1523618-06-5 Cat. No.: A174477 Peso molecular: 228.169

GRADE & PURITY ≥97%

Synonyms

UKOAYNOFHRXZEE-UHFFFAOYSA-N | 4-Amino-2-piperidinone TFA | SY098707 | 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid | 4-Aminopiperidin-2-one 2,2,2-trifluoroacetate | SB10032 | AS-37865 | 4-Amino2-piperidone trifluoroacetate | 1523618-06-5 | 4-aminopip

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

UKOAYNOFHRXZEE-UHFFFAOYSA-N | 4-Amino-2-piperidinone TFA | SY098707 | 4-aminopiperidin-2-one;2, 2, 2-trifluoroacetic acid | 4-Aminopiperidin-2-one 2, 2, 2-trifluoroacetate | SB10032 | AS-37865 | 4-Amino2-piperidone trifluoroacetate | 1523618-06-5 | 4-aminopip

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CNC(=O)CC1N.C(=O)(C(F)(F)F)O
• IUPAC Name: 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid
• InChIKey: UKOAYNOFHRXZEE-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2O.C2HF3O2/c6-4-1-2-7-5(8)3-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)
• Isómeros SMILES: C1CNC(=O)CC1N.C(=O)(C(F)(F)F)O
• Peso molecular: 228.169
• Reaxy-Rn: 28512306
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28512306&ln=

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 Beta 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: Beta amino acids and derivatives
• Alternative Parents: Piperidinones Delta lactams Aminopiperidines Alpha-halocarboxylic acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Beta amino acid or derivatives - 4-aminopiperidine - Delta-lactam - Piperidinone - Piperidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary aliphatic amine - Primary amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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: 228.170 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 228.072 Da
• Monoisotopic Mass: 228.072 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 186.000
• 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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