RefChem:1056635
bis((E)-but-2-enedioic acid);3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine
Also Known As: 8-Chloro-10-(4-(3-aminopropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate|1-Piperazinepropanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)|4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanamine dimaleate|(E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine
CAS: 34801-48-4
| Molecular Formula | C29H34ClN3O8S |
|---|---|
| Molecular Weight | 619.17554 g/mol |
| LogP | 3.4784 |
| Topological Polar Surface Area | 181.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 619.17554 |
| Monoisotopic Mass | 619.17554 |
| Heavy Atoms | 42 |
| Complexity | 1229.3905 |
Chemical Identifiers
| CAS Number | 34801-48-4 |
|---|---|
| SMILES | C1N(CCN(C1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)CCCN.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056635 (CAS 34801-48-4), with molecular formula C29H34ClN3O8S and molecular weight 619.17554 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine.
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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