BMRB

Biological Magnetic Resonance Data Bank


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

1,1-diphenylethanamine

1,1-diphenylethanamine bmse012593 - Data

1,1-diphenylethanamine synonyms

Wikipedia:

Graphical representations:

1,1-diphenylethanamine

View large 3D structure

Molecular Formula: C14H15N

Natural Isotopic Abundance Mass: 197.2756

Mono-Isotopic Molecular Masses:

  • C12N14: 197.120449485
  • C13N14: 211.16741721700006
  • C12N15: 198.117484378
  • C13N15: 212.16445211000007

InChI string: InChI=1S/C14H15N/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,15H2,1H3

IUPAC: b'1,1-di(phenyl)ethanamine'

EU-OPENSCREEN: EOS103406

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)