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3-(Aminomethyl)isoquinoline - dihydrochloride - monohydrate
SpectraBase Compound ID 2KiQhNmgryZ
InChI InChI=1S/C10H10N2.2ClH.H2O/c11-6-10-5-8-3-1-2-4-9(8)7-12-10;;;/h1-5,7H,6,11H2;2*1H;1H2
InChIKey VRMPLIOHXVNYKG-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 Co3TT0P9qlS
Name 3-(Aminomethyl)isoquinoline - dihydrochloride - monohydrate
Alternate Name(s) isoquinolin-3-ylmethanamine hydrate dihydrochloride
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Formula C10H14Cl2N2O
InChI InChI=1S/C10H10N2.2ClH.H2O/c11-6-10-5-8-3-1-2-4-9(8)7-12-10;;;/h1-5,7H,6,11H2;2*1H;1H2
InChIKey VRMPLIOHXVNYKG-UHFFFAOYSA-N
Molecular Weight 249.141 g/mol
SMILES O.NCc1cc2c(cn1)cccc2.Cl.Cl
SPLASH splash10-001i-0900000000-ea6a6b6304f44ffa1398
Source of Spectrum OP-26-435-22
Wiley ID 850585