Compound C21H32Cl2N2O2

diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride

CAS: 52479-15-9

Molecular Formula	`C21H32Cl2N2O2`
Molecular Weight	415.4 g/mol
Topological Polar Surface Area	39.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	414.18408
Heavy Atoms	27
Complexity	377.0

Chemical Identifiers

CAS Number	52479-15-9
SMILES	`CC[NH+](CC)CC[NH2+]CCCC1(OC2=CC3=CC=CC=C3C=C2O1)C.[Cl-].[Cl-]`
InChIKey	`SIPBTQZZQIHMNC-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H32Cl2N2O2 (CAS: 52479-15-9) is a chemical compound with molecular formula C21H32Cl2N2O2 and molecular weight 415.4 g/mol. Its IUPAC systematic name is diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride. Topological Polar Surface Area 39.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 414.18408 Heavy Atoms 27 Complexity 377.0 InChI Key: SIPBTQZZQIHMNC-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC[NH2+]CCCC1(OC2=CC3=CC=CC=C3C=C2O1)C.[Cl-].[Cl-].

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