1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride bmse011398 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H14ClN3O

Natural Isotopic Abundance Mass: 239.70135999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 239.082539763
  • C13N14: 250.11944298100005
  • C12N15: 242.07364444200002
  • C13N15: 253.11054766000007

InChI string: InChI=1S/C11H13N3O.ClH/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9;/h2-6,8H,7,12H2,1H3;1H/t8-;/m0./s1

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)