N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide bmse011145 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H19N3O

Natural Isotopic Abundance Mass: 233.3094599999998

Mono-Isotopic Molecular Masses:

  • C12N14: 233.152812243
  • C13N14: 246.19642513700006
  • C12N15: 236.14391692200002
  • C13N15: 249.18752981600008

InChI string: InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)

wwPDB CCD: O1A

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)