bis(2-hydroxy-2-oxoacetate)11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

bis(2-hydroxy-2-oxoacetate);11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

CAS: 67238-95-3

Molecular Formula	`C24H31N3O8`
Molecular Weight	489.5 g/mol
Topological Polar Surface Area	177.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	1
Exact Mass	489.21112
Heavy Atoms	35
Complexity	463.0

Chemical Identifiers

CAS Number	67238-95-3
SMILES	`C[NH+]1CCC[NH+](CC1)C2=C3CCCCCC3=NC4=CC=CC=C42.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O`
InChIKey	`BBNWGUZEPIUGAT-UHFFFAOYSA-N`

📖 Product Overview

bis(2-hydroxy-2-oxoacetate)11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CAS: 67238-95-3) is a chemical compound with molecular formula C24H31N3O8 and molecular weight 489.5 g/mol. Its IUPAC systematic name is bis(2-hydroxy-2-oxoacetate);11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline. Topological Polar Surface Area 177.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 1 Exact Mass 489.21112 Heavy Atoms 35 Complexity 463.0 InChI Key: BBNWGUZEPIUGAT-UHFFFAOYSA-N. SMILES: C[NH+]1CCC[NH+](CC1)C2=C3CCCCCC3=NC4=CC=CC=C42.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O.

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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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for bis(2-hydroxy-2-oxoacetate)11-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

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