N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride

decyl-[3-(4-nitro-2-sulfanylphenyl)propyl]azanium chloride

CAS: 13116-78-4

Molecular Formula	`C19H33ClN2O2S`
Molecular Weight	389.0 g/mol
Topological Polar Surface Area	63.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	13
Exact Mass	388.19513
Heavy Atoms	25
Complexity	323.0

Chemical Identifiers

CAS Number	13116-78-4
SMILES	`CCCCCCCCCC[NH2+]CCCC1=C(C=C(C=C1)[N+](=O)[O-])S.[Cl-]`
InChIKey	`IPSITKGEKXLRCF-UHFFFAOYSA-N`

📖 Product Overview

N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride (CAS: 13116-78-4) is a chemical compound with molecular formula C19H33ClN2O2S and molecular weight 389.0 g/mol. Its IUPAC systematic name is decyl-[3-(4-nitro-2-sulfanylphenyl)propyl]azanium chloride. Topological Polar Surface Area 63.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 13 Exact Mass 388.19513 Heavy Atoms 25 Complexity 323.0 InChI Key: IPSITKGEKXLRCF-UHFFFAOYSA-N. SMILES: CCCCCCCCCC[NH2+]CCCC1=C(C=C(C=C1)[N+](=O)[O-])S.[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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