BMRB

Biological Magnetic Resonance Data Bank


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

Cyclohexylurea

Cyclohexylurea bmse011960 - Data

Cyclohexylurea synonyms

Wikipedia:

Graphical representations:

cyclohexylurea

View large 3D structure

Molecular Formula: C7H14N2O

Natural Isotopic Abundance Mass: 142.19886

Mono-Isotopic Molecular Masses:

  • C12N14: 142.110613078
  • C13N14: 149.13409694400002
  • C12N15: 144.104682864
  • C13N15: 151.12816673000003

InChI string: InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)

EU-OPENSCREEN: EOS102671

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)