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-(azetidin-3-yl)-1H-imidazole

2-(azetidin-3-yl)-1H-imidazole bmse012118 - Data

2-(azetidin-3-yl)-1H-imidazole synonyms

Wikipedia:

Graphical representations:

2-(azetidin-3-yl)-1H-imidazole

View large 3D structure

Molecular Formula: C6H9N3

Natural Isotopic Abundance Mass: 123.15576

Mono-Isotopic Molecular Masses:

  • C12N14: 123.079647303
  • C13N14: 129.09977633100002
  • C12N15: 126.07075198200002
  • C13N15: 132.09088101000003

InChI string: InChI=1S/C6H9N3/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2,(H,8,9)

EU-OPENSCREEN: EOS102843

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)