BMRB

Biological Magnetic Resonance Data Bank


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

2-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine

2-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine bmse012560 - Data

2-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine synonyms

Wikipedia:

Graphical representations:

2-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine

View large 3D structure

Molecular Formula: C11H15NO2

Natural Isotopic Abundance Mass: 193.2423

Mono-Isotopic Molecular Masses:

  • C12N14: 193.110278725
  • C13N14: 204.14718194300005
  • C12N15: 194.107313618
  • C13N15: 205.14421683600006

InChI string: InChI=1S/C11H15NO2/c1-11(2,12-3)8-4-5-9-10(6-8)14-7-13-9/h4-6,12H,7H2,1-3H3

IUPAC: b'2-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine'

EU-OPENSCREEN: EOS103352

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)