(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine bmse011872 - Data

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine synonyms

Wikipedia:

Graphical representations:

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine

View large 3D structure

Molecular Formula: C10H12ClNO2

Natural Isotopic Abundance Mass: 213.66078000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 213.055656309
  • C13N14: 223.08920468900004
  • C12N15: 214.052691202
  • C13N15: 224.08623958200005

InChI string: InChI=1S/C10H12ClNO2/c11-8-4-7(6-12)5-9-10(8)14-3-1-2-13-9/h4-5H,1-3,6,12H2

IUPAC: b'(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine'

EU-OPENSCREEN: EOS102575

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)