1-[1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride

1-[1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride bmse011282 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H19Cl2FN2

Natural Isotopic Abundance Mass: 281.19706319999983

Mono-Isotopic Molecular Masses:

  • C12N14: 280.090932198
  • C13N14: 292.1311902540001
  • C12N15: 282.08500198400003
  • C13N15: 294.1252600400001

InChI string: InChI=1S/C12H17FN2.2ClH/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13;;/h2-5,10,14H,6-9H2,1H3;2*1H/t10-;;/m0../s1

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)