Azepine

Azepine
source ↗	source ↗
Names
	IUPAC name 1H-Azepine
	Other names Azacycloheptatriene
Identifiers
CAS Number	291-69-0 Y;
3D model (JSmol)	Interactive image;
ChemSpider	4953941 Y;
PubChem CID	6451476;
CompTox Dashboard (EPA)	DTXSID50183352 ;
	InChI InChI=1S/C6H7N/c1-2-4-6-7-5-3-1/h1-7H Y Key: XYOVOXDWRFGKEX-UHFFFAOYSA-N Y; InChI=1/C6H7N/c1-2-4-6-7-5-3-1/h1-7H Key: XYOVOXDWRFGKEX-UHFFFAOYAM;
	SMILES C1=CC=CNC=C1;
Properties
Chemical formula	C6H7N
Molar mass	93.129 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

Azepine is an unsaturated heterocycle of seven atoms, with a nitrogen replacing a carbon at one position.¹²

The atoms are numbered starting with the nitrogen. The 1H-azepine isomer shown above is an unstable red oil at -78°C and rearranges on contact with acid or base to 3H-azepine with two hydrogen atoms attached to the third carbon.³

References

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
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.
Römpp Lexikon

[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

1

2

3

See also

References