BMRB

Biological Magnetic Resonance Data Bank


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

1H-indol-4-amine

1H-indol-4-amine bmse011950 - Data

1H-indol-4-amine synonyms

Wikipedia:

Graphical representations:

1H-indol-4-amine

View large 3D structure

Molecular Formula: C8H8N2

Natural Isotopic Abundance Mass: 132.16251999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 132.068748266
  • C13N14: 140.09558697000003
  • C12N15: 134.062818052
  • C13N15: 142.08965675600004

InChI string: InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2

IUPAC: b'1H-Indol-4-amine'

EU-OPENSCREEN: EOS102661

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)