RefChem:1073419
(Z)-but-2-enedioate;2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-7-azoniatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Also Known As: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-(4-(m-methylbenzyl)-1-piperazinyl)-, maleate (1:1)|5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDINE, 10,11-DIHYDRO-5-(4-(m-METHYLBENZYL)-1-PI
CAS: 34137-59-2
| Molecular Formula | C30H33N3O4 |
|---|---|
| Molecular Weight | 499.2471 g/mol |
| LogP | -0.55978 |
| Topological Polar Surface Area | 102.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.2471 |
| Monoisotopic Mass | 499.2471 |
| Heavy Atoms | 37 |
| Complexity | 1201.4412 |
Chemical Identifiers
| CAS Number | 34137-59-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3C4=C(CCC5=CC=CC=C35)[NH+]=CC=C4.C(=C\C(=O)[O-])\C(=O)[O-] |
Product Overview
RefChem:1073419 (CAS 34137-59-2), with molecular formula C30H33N3O4 and molecular weight 499.2471 g/mol. IUPAC: (Z)-but-2-enedioate;2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-7-azoniatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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