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

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

CAS: 60558-21-6

Molecular Formula	`C22H37ClN2O3`
Molecular Weight	413.0 g/mol
Topological Polar Surface Area	52.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	12
Exact Mass	412.24927
Heavy Atoms	28
Complexity	384.0

Chemical Identifiers

CAS Number	60558-21-6
SMILES	`CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-]`
InChIKey	`RJFQUACFSCGTQE-UHFFFAOYSA-N`

📖 Product Overview

Carbanilic acid, o-(heptyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride (CAS: 60558-21-6) is a chemical compound with molecular formula C22H37ClN2O3 and molecular weight 413.0 g/mol. Its IUPAC systematic name is 2-(azepan-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate chloride. Topological Polar Surface Area 52.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 12 Exact Mass 412.24927 Heavy Atoms 28 Complexity 384.0 InChI Key: RJFQUACFSCGTQE-UHFFFAOYSA-N. SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.[Cl-].

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