RefChem:1057835
pentakis((E)-but-2-enedioic acid);bis(1-ethyl-5-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydrobenzimidazole)
Also Known As: C14H24N4.5/2C4H4O4|C14-H24-N4.5/2C4-H4-O4|1H-Benzimidazole, 4,5,6,7-tetrahydro-1-ethyl-5-(4-methyl-1-piperazinyl)-, (E)-2-butenedioate (2:5)|(E)-but-2-enedioic acid; 1-ethyl-5-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydrobenzimidazole
CAS: 99714-89-3
| Molecular Formula | C48H68N8O20 |
|---|---|
| Molecular Weight | 1076.455 g/mol |
| LogP | 0.5744 |
| Topological Polar Surface Area | 421.6 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 1076.455 |
| Monoisotopic Mass | 1076.455 |
| Heavy Atoms | 76 |
| Complexity | 2033.2472 |
Chemical Identifiers
| CAS Number | 99714-89-3 |
|---|---|
| SMILES | CCN1C2=C(N=C1)CC(CC2)N3CCN(CC3)C.CCN1C2=C(N=C1)CC(CC2)N3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057835 (CAS 99714-89-3), with molecular formula C48H68N8O20 and molecular weight 1076.455 g/mol. IUPAC: pentakis((E)-but-2-enedioic acid);bis(1-ethyl-5-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydrobenzimidazole).
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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