Piperazin-1-yl(pyridin-4-yl)methanone;dihydrochloride

Piperazin-1-yl(pyridin-4-yl)methanone;dihydrochloride bmse011013 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H15Cl2N3O

Natural Isotopic Abundance Mass: 264.15159999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 263.059217475
  • C13N14: 273.09276585500004
  • C12N15: 266.050322154
  • C13N15: 276.0838705340001

InChI string: InChI=1S/C10H13N3O.2ClH/c14-10(9-1-3-11-4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2;2*1H

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)