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-amino-5-chloro-N-ethylbenzamide

2-amino-5-chloro-N-ethylbenzamide bmse012205 - Data

2-amino-5-chloro-N-ethylbenzamide synonyms

Wikipedia:

Graphical representations:

2-amino-5-chloro-N-ethylbenzamide

View large 3D structure

Molecular Formula: C9H11ClN2O

Natural Isotopic Abundance Mass: 198.64944

Mono-Isotopic Molecular Masses:

  • C12N14: 198.055990662
  • C13N14: 207.08618420400003
  • C12N15: 200.050060448
  • C13N15: 209.08025399000005

InChI string: InChI=1S/C9H11ClN2O/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3,(H,12,13)

EU-OPENSCREEN: EOS102938

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)