Substance
- Substance Name: 1-butyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium bromide
- Formula: C13H25BrN2
- Molecular Weight: 289.25 g/mol
- Identifiers:
- inchi: InChI=1S/C13H25N2.BrH/c1-2-3-9-14-11-7-12-15-10-6-4-5-8-13(14)15;/h2-12H2,1H3;1H/q+1;/p-1
- inchikey: DGHFXINGSRSRQZ-UHFFFAOYSA-M
- casrn: 108141-00-0
- csmiles: CCCCN1CCC[N+]2=C1CCCCC2.[Br-]
- ismiles: CCCCN1CCC[N+]2=C1CCCCC2.[Br-]
- pubchemId: 13717937
- iupacname: 1-butyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium;bromide
- wikidataId: Q82425767
- dsstoxcmpId: DTXCID20498288
1-butyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium bromide
Systems and Datasets
- 1-butyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium bromide (Datasets: 1)
- Dataset 11 in paper 10.1021/je400991s (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)