RefChem:305363
[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium;dichloride;hydrate
Also Known As: RefChem:305363|AC1L21K4|5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((3-(4-morpholinyl)propyl)amino)methyl)-, dihydrochloride|[2-Hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride hydrate|5H-BENZOCYCLOHEPTENE-2-METHANOL, 6,7,8,9-TETRAHYDRO-alpha-(((3-(4-MORPHOLINYL)PR|[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride hydrate
| Molecular Formula | C20H36Cl2N2O3 |
|---|---|
| Molecular Weight | 422.2103 g/mol |
| LogP | -6.96 |
| Topological Polar Surface Area | 82.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.2103 |
| Heavy Atoms | 27 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 42882-73-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)C(C[NH2+]CCC[NH+]3CCOCC3)O.O.[Cl-].[Cl-] |
Product Overview
RefChem:305363 (CAS 42882-73-5), with molecular formula C20H36Cl2N2O3 and molecular weight 422.2103 g/mol. IUPAC: [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(3-morpholin-4-ium-4-ylpropyl)azanium;dichloride;hydrate.
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