RefChem:272779
2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazanium dichloride
Also Known As: RefChem:272779|AC1L1MQ2|3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(diethylamino)ethyl)-, dihydrochloride|3-Benzyl-N,N-diethyl-3,9-diazabicyclo(3.3.1)nonane-9-ethylamine dihydrochloride|3-Benzyl-9-(2-(diethylamino)ethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride|2-(3-Benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazaniumdichloride|2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazanium dichloride
| Molecular Formula | C20H35Cl2N3 |
|---|---|
| Molecular Weight | 387.2208 g/mol |
| LogP | -5.76 |
| Topological Polar Surface Area | 12.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.2208 |
| Heavy Atoms | 25 |
| Complexity | 453.3 |
Chemical Identifiers
| CAS Number | 23531-23-9 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.[Cl-].[Cl-] |
Product Overview
RefChem:272779 (CAS 23531-23-9), with molecular formula C20H35Cl2N3 and molecular weight 387.2208 g/mol. IUPAC: 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazanium dichloride.
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