Compound C13H22Cl2N2O

diethyl-[2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl]azanium dichloride

CAS: 18189-47-4

Molecular Formula	`C13H22Cl2N2O`
Molecular Weight	293.23 g/mol
Topological Polar Surface Area	38.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	292.11093
Heavy Atoms	18
Complexity	312.0

Chemical Identifiers

CAS Number	18189-47-4
SMILES	`CC[NH+](CC)CC[NH2+]C1=CC=CC=CC1=O.[Cl-].[Cl-]`
InChIKey	`UTSDPVDIACMPKL-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H22Cl2N2O (CAS: 18189-47-4) is a chemical compound with molecular formula C13H22Cl2N2O and molecular weight 293.23 g/mol. Its IUPAC systematic name is diethyl-[2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl]azanium dichloride. Topological Polar Surface Area 38.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 292.11093 Heavy Atoms 18 Complexity 312.0 InChI Key: UTSDPVDIACMPKL-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[NH2+]C1=CC=CC=CC1=O.[Cl-].[Cl-].

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