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Azepine

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Azepine
Skeletal formula of azepine
Ball-and-stick model of the Azepine molecule
Names
IUPAC name Azepine
Other names Azacycloheptatriene
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C6H7N/c1-2-4-6-7-5-3-1/h1-7HKey: XYOVOXDWRFGKEX-UHFFFAOYSA-N
  • InChI=1/C6H7N/c1-2-4-6-7-5-3-1/h1-7HKey: XYOVOXDWRFGKEX-UHFFFAOYAM
SMILES
  • C1=CC=CNC=C1
Properties
Chemical formula C6H7N
Molar mass 93.129 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

Azepines are unsaturated heterocycles of seven atoms, with a nitrogen replacing a carbon at one position.

The atoms are numbered starting with the nitrogen. The 1H form shown to the right is unstable and converts to the 3H form.

See also

References

  1. Smith, Jason A.; Molesworth, Peter P.; Hyland, Christopher J. T.; Ryan, John H. (2011-01-01), Gribble, Gordon; Joule, John A. (eds.), Chapter 7 - Seven-Membered Rings, Progress in Heterocyclic Chemistry, vol. 22, Elsevier, pp. 491–536, doi:10.1016/S0959-6380(11)22016-6, ISBN 9780080966854, retrieved 2023-01-05
  2. Császár, Attila G.; Demaison, Jean; Rudolph, Heinz Dieter (2015-03-05). "Equilibrium structures of three-, four-, five-, six-, and seven-membered unsaturated N-containing heterocycles". The Journal of Physical Chemistry A. 119 (9): 1731–1746. Bibcode:2015JPCA..119.1731C. doi:10.1021/jp5084168. ISSN 1520-5215. PMID 25340501.
  3. Römpp Lexikon.
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