BMRB

Biological Magnetic Resonance Data Bank


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

4-(aminomethyl)phenol

4-(aminomethyl)phenol bmse011957 - Data

4-(aminomethyl)phenol synonyms

Wikipedia:

Graphical representations:

4-(aminomethyl)phenol

View large 3D structure

Molecular Formula: C7H9NO

Natural Isotopic Abundance Mass: 123.15245999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 123.068413913
  • C13N14: 130.09189777900002
  • C12N15: 124.065448806
  • C13N15: 131.08893267200003

InChI string: InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2

IUPAC: b'4-(aminomethyl)phenol'

EU-OPENSCREEN: EOS102668

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)