Benzoic acid, 5-amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)-, methyl ester, hydrochloride

methyl 5-amino-2-[5-(1,3-dioxoisoindol-2-ium-2-yl)pentoxy]benzoate chloride

CAS: 13851-61-1

Molecular Formula	`C21H23ClN2O5`
Molecular Weight	418.9 g/mol
Topological Polar Surface Area	100.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	418.12955
Heavy Atoms	29
Complexity	557.0

Chemical Identifiers

CAS Number	13851-61-1
SMILES	`COC(=O)C1=C(C=CC(=C1)N)OCCCCC[NH+]2C(=O)C3=CC=CC=C3C2=O.[Cl-]`
InChIKey	`CUXXETIQYUUDTP-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 5-amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)-, methyl ester, hydrochloride (CAS: 13851-61-1) is a chemical compound with molecular formula C21H23ClN2O5 and molecular weight 418.9 g/mol. Its IUPAC systematic name is methyl 5-amino-2-[5-(1,3-dioxoisoindol-2-ium-2-yl)pentoxy]benzoate chloride. Topological Polar Surface Area 100.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 418.12955 Heavy Atoms 29 Complexity 557.0 InChI Key: CUXXETIQYUUDTP-UHFFFAOYSA-N. SMILES: COC(=O)C1=C(C=CC(=C1)N)OCCCCC[NH+]2C(=O)C3=CC=CC=C3C2=O.[Cl-].

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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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