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-(4-chloro-1H-pyrrol-2-yl)-N-methylmethanamine

1-(4-chloro-1H-pyrrol-2-yl)-N-methylmethanamine bmse011878 - Data

1-(4-chloro-1H-pyrrol-2-yl)-N-methylmethanamine synonyms

Wikipedia:

Graphical representations:

1-(4-chloro-1H-pyrrol-2-yl)-N-methylmethanamine

View large 3D structure

Molecular Formula: C6H9ClN2

Natural Isotopic Abundance Mass: 144.60206

Mono-Isotopic Molecular Masses:

  • C12N14: 144.045425978
  • C13N14: 150.065555006
  • C12N15: 146.039495764
  • C13N15: 152.05962479200002

InChI string: InChI=1S/C6H9ClN2/c1-8-4-6-2-5(7)3-9-6/h2-3,8-9H,4H2,1H3

EU-OPENSCREEN: EOS102581

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)