Substance
- Substance Name: 1-octyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium chloride
- Formula: C17H33ClN2
- Molecular Weight: 300.9 g/mol
- Identifiers:
- inchi: InChI=1S/C17H33N2.ClH/c1-2-3-4-5-6-9-13-18-15-11-16-19-14-10-7-8-12-17(18)19;/h2-16H2,1H3;1H/q+1;/p-1
- inchikey: HNPOFEJRXXHIMI-UHFFFAOYSA-M
- csmiles: CCCCCCCCN1CCC[N+]2=C1CCCCC2.[Cl-]
- ismiles: CCCCCCCCN1CCC[N+]2=C1CCCCC2.[Cl-]
- pubchemId: 67123068
- iupacname: 1-octyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium;chloride
1-octyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium chloride
Systems and Datasets
- 1-octyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium chloride (Datasets: 1)
- Dataset 13 in paper 10.1021/je400991s (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)