RefChem:1096065
bis((E)-but-2-enedioic acid);N,N-dimethyl-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]acetamide
Also Known As: Piperazineacetamide, N,N-dimethyl-4-(spiro(5H)-dibenzo(a,d)cycloheptene-5,2'-(1,3)dioxolan-4'-ylmethyl)-, (Z)-2-butenedioate (1:2)
CAS: 40536-33-2
| Molecular Formula | C34H39N3O11 |
|---|---|
| Molecular Weight | 665.2585 g/mol |
| LogP | 1.9163 |
| Topological Polar Surface Area | 194.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 665.2585 |
| Monoisotopic Mass | 665.2585 |
| Heavy Atoms | 48 |
| Complexity | 1443.31 |
Chemical Identifiers
| CAS Number | 40536-33-2 |
|---|---|
| SMILES | CN(C(=O)CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4C=CC5=CC=CC=C35)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096065 (CAS 40536-33-2), with molecular formula C34H39N3O11 and molecular weight 665.2585 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N,N-dimethyl-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]acetamide.
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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