BMRB

Biological Magnetic Resonance Data Bank


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

N-(2-aminoethyl)-2-fluorobenzamide

N-(2-aminoethyl)-2-fluorobenzamide bmse011803 - Data

N-(2-aminoethyl)-2-fluorobenzamide synonyms

Wikipedia:

Graphical representations:

N-(2-aminoethyl)-2-fluorobenzamide

View large 3D structure

Molecular Formula: C9H11FN2O

Natural Isotopic Abundance Mass: 182.19484319999998

Mono-Isotopic Molecular Masses:

  • C12N14: 182.085541202
  • C13N14: 191.11573474400004
  • C12N15: 184.079610988
  • C13N15: 193.10980453000005

InChI string: InChI=1S/C9H11FN2O/c10-8-4-2-1-3-7(8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)

EU-OPENSCREEN: EOS102503

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)