BMRB

Biological Magnetic Resonance Data Bank


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

N-methyl-1-phenylmethanamine

N-methyl-1-phenylmethanamine bmse011827 - Data

N-methyl-1-phenylmethanamine synonyms

Wikipedia:

Graphical representations:

N-methyl-1-phenylmethanamine

View large 3D structure

Molecular Formula: C8H11N

Natural Isotopic Abundance Mass: 121.17964

Mono-Isotopic Molecular Masses:

  • C12N14: 121.089149357
  • C13N14: 129.11598806100002
  • C12N15: 122.08618425
  • C13N15: 130.11302295400003

InChI string: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

IUPAC: b'N-methyl-1-phenylmethanamine'

BMRB Ligand Expo: 271
EU-OPENSCREEN: EOS102528

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)