RefChem:1083286
(E)-but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)-N,N-dimethylethanamine
Also Known As: dl-6-(2-N-Dimethylaminoethyl)-dibenzo(b,e)oxepine fumarate|(+-)-6,11-Dihydro-N,N-dimethyldibenz(b,e)oxepin-6-ethanamine|Dibenz(b,e)oxepin-6-ethanamine, 6,11-dihydro-N,N-dimethyl-, (+-)-, (E)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)-N,N-dimethylethanamine
CAS: 86640-20-2
| Molecular Formula | C22H25NO5 |
|---|---|
| Molecular Weight | 383.17328 g/mol |
| LogP | 3.3744 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.17328 |
| Monoisotopic Mass | 383.17328 |
| Heavy Atoms | 28 |
| Complexity | 828.3257 |
Chemical Identifiers
| CAS Number | 86640-20-2 |
|---|---|
| SMILES | CN(C)CCC1C2=CC=CC=C2CC3=CC=CC=C3O1.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1083286 (CAS 86640-20-2), with molecular formula C22H25NO5 and molecular weight 383.17328 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)-N,N-dimethylethanamine.
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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