4-Fluoropiperidine - ≥98% , CAS No.78197-27-0

CAS: 78197-27-0 Cat. No.: F590177 Fórmula: C₅H₁₀FN Peso molecular: 103.14 Número CE: 851-922-2

GRAU & PUREZA ≥98%

Synonyms

BS-24472 | SCHEMBL9503 | 4-fluoropiperdine | A852875 | 4-fluoropiperidine | 4-fluoro-piperidine | AKOS005064106 | QBLLOOKBLTTXHB-UHFFFAOYSA-N | 4-Fluoropyperidine | STL555880 | Piperidine, 4-fluoro- | 4-Fluoro-piperidinium | AB13264 | I11481 | SY020129 |

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Especificações

Sinónimos

BS-24472 | SCHEMBL9503 | 4-fluoropiperdine | A852875 | 4-fluoropiperidine | 4-fluoro-piperidine | AKOS005064106 | QBLLOOKBLTTXHB-UHFFFAOYSA-N | 4-Fluoropyperidine | STL555880 | Piperidine, 4-fluoro- | 4-Fluoro-piperidinium | AB13264 | I11481 | SY020129 |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508809408

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809408

Sorrisos canónicos

C1CNCCC1F

IUPAC Name

4-fluoropiperidine

InChIKey

QBLLOOKBLTTXHB-UHFFFAOYSA-N

INCHI

1S/C5H10FN/c6-5-1-3-7-4-2-5/h5,7H,1-4H2

SMILES isoméricas

C1CNCCC1F

Peso molecular

103.14

Reaxy-Rn

1280172

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280172&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 103.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 103.08 Da
• Monoisotopic Mass: 103.08 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 50.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1