RefChem:272780
2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-dimethylazanium dichloride
Also Known As: AC1Q1RNJ|RefChem:272780|AC1L1ML8|3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(dimethylamino)ethyl)-, dihydrochloride|3-Benzyl-N,N-dimethyl-3,9-diazabicyclo(3.3.1)nonane-9-ethylamine dihydrochloride|3-Benzyl-9-(2-(dimethylamino)ethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride|2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-dimethylazaniumdichloride|2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-dimethylazanium dichloride|3-benzyl-9-[2-(dimethylammonio)ethyl]-3-aza-9-azoniabicyclo[3.3.1]nonane dichloride
| Molecular Formula | C18H31Cl2N3 |
|---|---|
| Molecular Weight | 359.1895 g/mol |
| LogP | -6.54 |
| Topological Polar Surface Area | 12.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1895 |
| Heavy Atoms | 23 |
| Complexity | 427.2 |
Chemical Identifiers
| CAS Number | 23462-03-5 |
|---|---|
| SMILES | C[NH+](C)CC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.[Cl-].[Cl-] |
Product Overview
RefChem:272780 (CAS 23462-03-5), with molecular formula C18H31Cl2N3 and molecular weight 359.1895 g/mol. IUPAC: 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-dimethylazanium dichloride.
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