BMRB

Biological Magnetic Resonance Data Bank


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

N'-(3,5-dichloropyridin-2-yl)ethane-1,2-diamine

N'-(3,5-dichloropyridin-2-yl)ethane-1,2-diamine bmse011904 - Data

N'-(3,5-dichloropyridin-2-yl)ethane-1,2-diamine synonyms

Wikipedia:

Graphical representations:

N'-(3,5-dichloropyridin-2-yl)ethane-1,2-diamine

View large 3D structure

Molecular Formula: C7H9Cl2N3

Natural Isotopic Abundance Mass: 206.07245999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 205.017352663
  • C13N14: 212.04083652900002
  • C12N15: 208.008457342
  • C13N15: 215.03194120800003

InChI string: InChI=1S/C7H9Cl2N3/c8-5-3-6(9)7(12-4-5)11-2-1-10/h3-4H,1-2,10H2,(H,11,12)

IUPAC: b'N-(3,5-dichloropyridin-2-yl)ethane-1,2-diamine'

EU-OPENSCREEN: EOS102611

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)