|
gptkbp:instanceOf
|
gptkb:heterocyclic_compound
|
|
gptkbp:appearance
|
white to yellowish solid
|
|
gptkbp:aroma
|
fecal, flowery at low concentrations
|
|
gptkbp:biosynthesized_from
|
tryptophan
|
|
gptkbp:boilingPoint
|
253–254 °C
|
|
gptkbp:CASNumber
|
120-72-9
|
|
gptkbp:chemicalFormula
|
C8H7N
|
|
gptkbp:discoveredBy
|
Adolph Baeyer
|
|
gptkbp:discoveredIn
|
1866
|
|
gptkbp:foundIn
|
gptkb:coal_tar
human feces
jasmine oil
|
|
gptkbp:hasInChIKey
|
1S/C8H7N/c1-2-4-7-6(3-1)5-9-8(7)10/h1-5,9-10H
|
|
gptkbp:hasSMILES
|
c1ccc2c(c1)cc[nH]2
|
|
gptkbp:IUPACName
|
1H-indole
|
|
gptkbp:meltingPoint
|
52–54 °C
|
|
gptkbp:molecularWeight
|
117.15 g/mol
|
|
gptkbp:predecessor
|
gptkb:indole_alkaloids
serotonin
tryptophan
|
|
gptkbp:riskFactor
|
irritant
toxic in large amounts
|
|
gptkbp:solubility
|
slightly soluble
|
|
gptkbp:solubility_in_ethanol
|
soluble
|
|
gptkbp:solubility_in_ether
|
soluble
|
|
gptkbp:structure
|
bicyclic, fused benzene and pyrrole ring
|
|
gptkbp:used_in
|
gptkb:perfume_industry
chemical research
pharmaceuticals
|
|
gptkbp:bfsParent
|
gptkb:JWH-250
gptkb:benzofuran
gptkb:Tryptophan
gptkb:Pirlindole
|
|
gptkbp:bfsLayer
|
7
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
indole
|