BMRB

Biological Magnetic Resonance Data Bank


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

3-[(pyridin-2-ylamino)methyl]phenol

3-[(pyridin-2-ylamino)methyl]phenol bmse012131 - Data

3-[(pyridin-2-ylamino)methyl]phenol synonyms

Wikipedia:

Graphical representations:

3-[(pyridin-2-ylamino)methyl]phenol

View large 3D structure

Molecular Formula: C12H12N2O

Natural Isotopic Abundance Mass: 200.23647999999994

Mono-Isotopic Molecular Masses:

  • C12N14: 200.094963014
  • C13N14: 212.13522107000006
  • C12N15: 202.0890328
  • C13N15: 214.12929085600007

InChI string: InChI=1S/C12H12N2O/c15-11-5-3-4-10(8-11)9-14-12-6-1-2-7-13-12/h1-8,15H,9H2,(H,13,14)

EU-OPENSCREEN: EOS102857

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)