RefChem:1084581
benzyl-(3-morpholin-4-ium-4-ylpropyl)-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride
Also Known As: RefChem:1084581|AC1L21J1|Ethanone, 2-((3-(4-morpholinyl)propyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (1:2:1)|BENZYL-(3-MORPHOLIN-4-IUM-4-YLPROPYL)-[2-OXO-2-(6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-2-YL)ETHYL]AZANIUM DICHLORIDE|ETHANONE, 2-((3-(4-MORPHOLINYL)PROPYL)(PHENYLMETHYL)AMINO)-1-(6,7,8,9-TETRAHYDRO|benzyl-(3-morpholin-4-ium-4-ylpropyl)-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride
| Molecular Formula | C27H38Cl2N2O2 |
|---|---|
| Molecular Weight | 492.23105 g/mol |
| LogP | -4.46 |
| Topological Polar Surface Area | 35.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.23105 |
| Heavy Atoms | 33 |
| Complexity | 841.3 |
Chemical Identifiers
| CAS Number | 42882-49-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)C(=O)C[NH+](CCC[NH+]3CCOCC3)CC4=CC=CC=C4.[Cl-].[Cl-] |
Product Overview
RefChem:1084581 (CAS 42882-49-5), with molecular formula C27H38Cl2N2O2 and molecular weight 492.23105 g/mol. IUPAC: benzyl-(3-morpholin-4-ium-4-ylpropyl)-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium dichloride.
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