BMRB

Biological Magnetic Resonance Data Bank


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

2-(3-chloropyridin-2-yl)oxyethanamine

2-(3-chloropyridin-2-yl)oxyethanamine bmse012215 - Data

2-(3-chloropyridin-2-yl)oxyethanamine synonyms

Wikipedia:

Graphical representations:

2-(3-chloropyridin-2-yl)oxyethanamine

View large 3D structure

Molecular Formula: C7H9ClN2O

Natural Isotopic Abundance Mass: 172.61216000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 172.040340598
  • C13N14: 179.06382446400002
  • C12N15: 174.034410384
  • C13N15: 181.05789425000003

InChI string: InChI=1S/C7H9ClN2O/c8-6-2-1-4-10-7(6)11-5-3-9/h1-2,4H,3,5,9H2

EU-OPENSCREEN: EOS102948

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)