Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


NMR Quality Control Of Fragment Libraries For Screening synonyms


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Molecular Formula: C12H18N2O

Natural Isotopic Abundance Mass: 206.28411999999983

Mono-Isotopic Molecular Masses:

  • C12N14: 206.141913206
  • C13N14: 218.18217126200005
  • C12N15: 208.135982992
  • C13N15: 220.17624104800007

InChI string: InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m0/s1

IUPAC: (1S)-1-(4-morpholin-4-ylphenyl)ethanamine

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,