AC1L4DBM
bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate;tetrahydrochloride
Also Known As: Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)|Bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]non-9-yl)ethyl] Hexanedioate Tetrahydrochloride|bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate tetrahydrochloride|Bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate--hydrogen chloride (1/4)
| Molecular Formula | C26H50Cl4N4O4 |
|---|---|
| Molecular Weight | 622.2586 g/mol |
| LogP | 3.6574 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 622.2586 |
| Monoisotopic Mass | 622.2586 |
| Heavy Atoms | 38 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 17010-56-9 |
|---|---|
| SMILES | CN1CC2CCCC(C1)N2CCOC(=O)CCCCC(=O)OCCN3C4CCCC3CN(C4)C.Cl.Cl.Cl.Cl |
| InChIKey | JQPXXCLZTFSIJY-UHFFFAOYSA-N |
Product Overview
AC1L4DBM (CAS 17010-56-9), with molecular formula C26H50Cl4N4O4 and molecular weight 622.2586 g/mol. IUPAC: bis[2-(3-methyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl] hexanedioate;tetrahydrochloride.
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