NSC 5498

N-[6-(4-benzylpiperazin-1-yl)hexyl]-6-methoxyquinolin-8-amine;oxalic acid

CAS: 6285-37-6

Molecular Formula	`C31H40N4O9`
Molecular Weight	612.7 g/mol
Topological Polar Surface Area	190.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	13
Exact Mass	612.27954
Heavy Atoms	44
Complexity	575.0

Chemical Identifiers

CAS Number	6285-37-6
SMILES	`COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCCN3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O`
InChIKey	`ALPZSCFSIMVXEY-UHFFFAOYSA-N`

📖 Product Overview

NSC 5498 (CAS: 6285-37-6) is a chemical compound with molecular formula C31H40N4O9 and molecular weight 612.7 g/mol. Its IUPAC systematic name is N-[6-(4-benzylpiperazin-1-yl)hexyl]-6-methoxyquinolin-8-amine;oxalic acid. Topological Polar Surface Area 190.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 13 Rotatable Bonds 13 Exact Mass 612.27954 Heavy Atoms 44 Complexity 575.0 InChI Key: ALPZSCFSIMVXEY-UHFFFAOYSA-N. SMILES: COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCCN3CCN(CC3)CC4=CC=CC=C4.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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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