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-(1H-imidazol-2-ylmethyl)acetamide

N-(1H-imidazol-2-ylmethyl)acetamide bmse011167 - Data bmse012192 - Data

N-(1H-imidazol-2-ylmethyl)acetamide synonyms

Wikipedia:

Graphical representations:

N-(1H-imidazol-2-ylmethyl)acetamide

View large 3D structure

Molecular Formula: C6H9N3O

Natural Isotopic Abundance Mass: 139.15516

Mono-Isotopic Molecular Masses:

  • C12N14: 139.074561923
  • C13N14: 145.09469095100002
  • C12N15: 142.06566660200002
  • C13N15: 148.08579563000004

InChI string: InChI=1S/C6H9N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-3H,4H2,1H3,(H,7,8)(H,9,10)

EU-OPENSCREEN: EOS102922

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)