BMRB

Biological Magnetic Resonance Data Bank


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

(1S)-1-(4-chlorophenyl)ethane-1,2-diamine

(1S)-1-(4-chlorophenyl)ethane-1,2-diamine bmse012060 - Data

(1S)-1-(4-chlorophenyl)ethane-1,2-diamine synonyms

Wikipedia:

Graphical representations:

(1S)-1-(4-chlorophenyl)ethane-1,2-diamine

View large 3D structure

Molecular Formula: C8H11ClN2

Natural Isotopic Abundance Mass: 170.63934

Mono-Isotopic Molecular Masses:

  • C12N14: 170.061076042
  • C13N14: 178.08791474600002
  • C12N15: 172.055145828
  • C13N15: 180.08198453200004

InChI string: InChI=1S/C8H11ClN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,5,10-11H2/t8-/m1/s1

EU-OPENSCREEN: EOS102780

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)