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1-(Aminomethyl)isoquinoline - dihydrochloride - monohydrate
SpectraBase Compound ID Jk7gyouZr7W
InChI InChI=1S/C10H10N2.2ClH.H2O/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;;;/h1-6H,7,11H2;2*1H;1H2
InChIKey PQEBBGGAWXPNDY-UHFFFAOYSA-N
Mol Weight 249.14 g/mol
Molecular Formula C10H14Cl2N2O
Exact Mass 248.048318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NuQElj7EGs
Name 1-(Aminomethyl)isoquinoline - dihydrochloride - monohydrate
Alternate Name(s) isoquinolin-1-ylmethanamine hydrate dihydrochloride
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Formula C10H14Cl2N2O
InChI InChI=1S/C10H10N2.2ClH.H2O/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;;;/h1-6H,7,11H2;2*1H;1H2
InChIKey PQEBBGGAWXPNDY-UHFFFAOYSA-N
Molecular Weight 249.141 g/mol
SMILES O.NCc1c2c(cccc2)ccn1.Cl.Cl
SPLASH splash10-001i-1900000000-d87c6a7ff8e596c80204
Source of Spectrum OP-26-435-16
Wiley ID 850586