(3,4-dimethoxyphenyl)methanamine

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H13NO2

Natural Isotopic Abundance Mass: 167.20501999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 167.094628661
  • C13N14: 176.12482220300004
  • C12N15: 168.091663554
  • C13N15: 177.12185709600004

InChI string: InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3

IUPAC: (3,4-dimethoxyphenyl)methanamine

wwPDB CCD: JHD

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)