Compound C16H28Cl2N2O3

3-(4-azaniumyl-2-ethoxybenzoyl)oxypropyl-diethylazanium dichloride

CAS: 100811-87-8

Molecular Formula	`C16H28Cl2N2O3`
Molecular Weight	367.3 g/mol
Topological Polar Surface Area	67.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	366.1477
Heavy Atoms	23
Complexity	295.0

Chemical Identifiers

CAS Number	100811-87-8
SMILES	`CC[NH+](CC)CCCOC(=O)C1=C(C=C(C=C1)[NH3+])OCC.[Cl-].[Cl-]`
InChIKey	`ISBJHVKLCZWDPA-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H28Cl2N2O3 (CAS: 100811-87-8) is a chemical compound with molecular formula C16H28Cl2N2O3 and molecular weight 367.3 g/mol. Its IUPAC systematic name is 3-(4-azaniumyl-2-ethoxybenzoyl)oxypropyl-diethylazanium dichloride. Topological Polar Surface Area 67.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 366.1477 Heavy Atoms 23 Complexity 295.0 InChI Key: ISBJHVKLCZWDPA-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCCOC(=O)C1=C(C=C(C=C1)[NH3+])OCC.[Cl-].[Cl-].

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