Compound C42H86Cl2N2O4

6-[dimethyl-(2-oxo-2-tetradecoxyethyl)azaniumyl]hexyl-dimethyl-(2-oxo-2-tetradecoxyethyl)azanium dichloride

CAS: 18277-77-5

Molecular Formula	`C42H86Cl2N2O4`
Molecular Weight	754.0 g/mol
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	39
Exact Mass	752.59644
Heavy Atoms	50
Complexity	664.0

Chemical Identifiers

CAS Number	18277-77-5
SMILES	`CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC.[Cl-].[Cl-]`
InChIKey	`DKKULVMFUDSLPF-UHFFFAOYSA-L`

📖 Product Overview

Compound C42H86Cl2N2O4 (CAS: 18277-77-5) is a chemical compound with molecular formula C42H86Cl2N2O4 and molecular weight 754.0 g/mol. Its IUPAC systematic name is 6-[dimethyl-(2-oxo-2-tetradecoxyethyl)azaniumyl]hexyl-dimethyl-(2-oxo-2-tetradecoxyethyl)azanium dichloride. Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 39 Exact Mass 752.59644 Heavy Atoms 50 Complexity 664.0 InChI Key: DKKULVMFUDSLPF-UHFFFAOYSA-L. SMILES: CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC.[Cl-].[Cl-].

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