2-[4-(butylazaniumyl)-2-propoxybenzoyl]oxyethyl-diethylazanium dichloride

CAS: 100311-29-3

Molecular Formula	`C20H36Cl2N2O3`
Molecular Weight	423.4 g/mol
Topological Polar Surface Area	56.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	14
Exact Mass	422.2103
Heavy Atoms	27
Complexity	348.0

Chemical Identifiers

CAS Number	100311-29-3
SMILES	`CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCC[NH+](CC)CC)OCCC.[Cl-].[Cl-]`
InChIKey	`BCOBSUBQDWIJDC-UHFFFAOYSA-N`

📖 Product Overview

2-[4-(butylazaniumyl)-2-propoxybenzoyl]oxyethyl-diethylazanium dichloride (CAS: 100311-29-3) is a chemical compound with molecular formula C20H36Cl2N2O3 and molecular weight 423.4 g/mol. Its IUPAC systematic name is 2-[4-(butylazaniumyl)-2-propoxybenzoyl]oxyethyl-diethylazanium dichloride. Topological Polar Surface Area 56.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 14 Exact Mass 422.2103 Heavy Atoms 27 Complexity 348.0 InChI Key: BCOBSUBQDWIJDC-UHFFFAOYSA-N. SMILES: CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCC[NH+](CC)CC)OCCC.[Cl-].[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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📚 Academic Support

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