Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(4-nitrophenethyl)methyl-, hydrobromide

6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide

CAS: 63937-59-7

Molecular Formula	`C21H27BrN2O4`
Molecular Weight	451.4 g/mol
Topological Polar Surface Area	68.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	450.11542
Heavy Atoms	28
Complexity	475.0

Chemical Identifiers

CAS Number	63937-59-7
SMILES	`C[NH+]1CCC2=CC(=C(C=C2C1CCCC3=CC=C(C=C3)[N+](=O)[O-])OC)OC.[Br-]`
InChIKey	`DUUXIBXHGQLNAD-UHFFFAOYSA-N`

📖 Product Overview

Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(4-nitrophenethyl)methyl-, hydrobromide (CAS: 63937-59-7) is a chemical compound with molecular formula C21H27BrN2O4 and molecular weight 451.4 g/mol. Its IUPAC systematic name is 6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide. Topological Polar Surface Area 68.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 450.11542 Heavy Atoms 28 Complexity 475.0 InChI Key: DUUXIBXHGQLNAD-UHFFFAOYSA-N. SMILES: C[NH+]1CCC2=CC(=C(C=C2C1CCCC3=CC=C(C=C3)[N+](=O)[O-])OC)OC.[Br-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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