RefChem:1097591
(E)-but-2-enedioic acid;1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]pyrrolidine
Also Known As: (+-)-1-(2-(6,11-Dihydrodibenz(b,e)oxepin-6-yl)ethyl)pyrrolidine|Pyrrolidine, 1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)-, (+-)-, (E)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]pyrrolidine
CAS: 86640-22-4
| Molecular Formula | C24H27NO5 |
|---|---|
| Molecular Weight | 409.18893 g/mol |
| LogP | 3.9086 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.18893 |
| Monoisotopic Mass | 409.18893 |
| Heavy Atoms | 30 |
| Complexity | 885.97424 |
Chemical Identifiers
| CAS Number | 86640-22-4 |
|---|---|
| SMILES | C1CCN(C1)CCC2C3=CC=CC=C3CC4=CC=CC=C4O2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097591 (CAS 86640-22-4), with molecular formula C24H27NO5 and molecular weight 409.18893 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]pyrrolidine.
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.
View MSDS →
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