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-cyclopropylaniline

4-cyclopropylaniline bmse012233 - Data

4-cyclopropylaniline synonyms

Wikipedia:

Graphical representations:

4-cyclopropylaniline

View large 3D structure

Molecular Formula: C9H11N

Natural Isotopic Abundance Mass: 133.19034000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 133.089149357
  • C13N14: 142.11934289900003
  • C12N15: 134.08618425
  • C13N15: 143.11637779200004

InChI string: InChI=1S/C9H11N/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2,10H2

EU-OPENSCREEN: EOS102969

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)