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-(furan-2-yl)ethanamine

2-(furan-2-yl)ethanamine bmse012620 - Data

2-(furan-2-yl)ethanamine synonyms

Wikipedia:

Graphical representations:

2-(furan-2-yl)ethanamine

View large 3D structure

Molecular Formula: C6H9NO

Natural Isotopic Abundance Mass: 111.14175999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 111.068413913
  • C13N14: 117.08854294100001
  • C12N15: 112.065448806
  • C13N15: 118.08557783400002

InChI string: InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2

IUPAC: b'2-furan-2-ylethanamine'

BMRB Ligand Expo: 56T
EU-OPENSCREEN: EOS103448

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)