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-chloro-3-[(dimethylamino)methyl]aniline

4-chloro-3-[(dimethylamino)methyl]aniline bmse012161 - Data

4-chloro-3-[(dimethylamino)methyl]aniline synonyms

Wikipedia:

Graphical representations:

4-chloro-3-[(dimethylamino)methyl]aniline

View large 3D structure

Molecular Formula: C9H13ClN2

Natural Isotopic Abundance Mass: 184.66592

Mono-Isotopic Molecular Masses:

  • C12N14: 184.076726106
  • C13N14: 193.10691964800003
  • C12N15: 186.070795892
  • C13N15: 195.10098943400004

InChI string: InChI=1S/C9H13ClN2/c1-12(2)6-7-5-8(11)3-4-9(7)10/h3-5H,6,11H2,1-2H3

EU-OPENSCREEN: EOS102888

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)