BMRB

Biological Magnetic Resonance Data Bank


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

3-propan-2-ylazetidine

3-propan-2-ylazetidine bmse012638 - Data

3-propan-2-ylazetidine synonyms

Wikipedia:

Graphical representations:

3-propan-2-ylazetidine

View large 3D structure

Molecular Formula: C6H13N

Natural Isotopic Abundance Mass: 99.17412000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 99.104799421
  • C13N14: 105.12492844900001
  • C12N15: 100.101834314
  • C13N15: 106.12196334200002

InChI string: InChI=1S/C6H13N/c1-5(2)6-3-7-4-6/h5-7H,3-4H2,1-2H3

IUPAC: b'3-propan-2-ylazetidine'

EU-OPENSCREEN: EOS103469

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)