BMRB

Biological Magnetic Resonance Data Bank


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

2-propylaniline

2-propylaniline bmse012124 - Data

2-propylaniline synonyms

Wikipedia:

Graphical representations:

2-propylaniline

View large 3D structure

Molecular Formula: C9H13N

Natural Isotopic Abundance Mass: 135.20622

Mono-Isotopic Molecular Masses:

  • C12N14: 135.104799421
  • C13N14: 144.13499296300003
  • C12N15: 136.101834314
  • C13N15: 145.13202785600004

InChI string: InChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3

IUPAC: b'2-Propylaniline'

BMRB Ligand Expo: PRY
EU-OPENSCREEN: EOS102850

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)