Carbanilic acid, o-(octyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride

2-(azepan-1-ium-1-yl)ethyl N-(2-octoxyphenyl)carbamate chloride

CAS: 60558-19-2

Molecular Formula	`C23H39ClN2O3`
Molecular Weight	427.0 g/mol
Topological Polar Surface Area	52.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	13
Exact Mass	426.26492
Heavy Atoms	29
Complexity	397.0

Chemical Identifiers

CAS Number	60558-19-2
SMILES	`CCCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-]`
InChIKey	`NGBABOYYNGBCDE-UHFFFAOYSA-N`

📖 Product Overview

Carbanilic acid, o-(octyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride (CAS: 60558-19-2) is a chemical compound with molecular formula C23H39ClN2O3 and molecular weight 427.0 g/mol. Its IUPAC systematic name is 2-(azepan-1-ium-1-yl)ethyl N-(2-octoxyphenyl)carbamate chloride. Topological Polar Surface Area 52.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 13 Exact Mass 426.26492 Heavy Atoms 29 Complexity 397.0 InChI Key: NGBABOYYNGBCDE-UHFFFAOYSA-N. SMILES: CCCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[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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