benzyl-[2-(diethylazaniumyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium dichloride

CAS: 102489-46-3

Molecular Formula	`C22H33Cl2N3O`
Molecular Weight	426.4 g/mol
Topological Polar Surface Area	38.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	10
Exact Mass	425.20007
Heavy Atoms	28
Complexity	391.0

Chemical Identifiers

CAS Number	102489-46-3
SMILES	`CC[NH+](CC)CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C.[Cl-].[Cl-]`
InChIKey	`TUEWSVFVCRPCRM-UHFFFAOYSA-N`

📖 Product Overview

benzyl-[2-(diethylazaniumyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium dichloride (CAS: 102489-46-3) is a chemical compound with molecular formula C22H33Cl2N3O and molecular weight 426.4 g/mol. Its IUPAC systematic name is benzyl-[2-(diethylazaniumyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium dichloride. Topological Polar Surface Area 38.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 10 Exact Mass 425.20007 Heavy Atoms 28 Complexity 391.0 InChI Key: TUEWSVFVCRPCRM-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C.[Cl-].[Cl-].

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📚 Academic Support

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