RefChem:1056937
(E)-but-2-enedioic acid;bis(1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one)
Also Known As: 1-(Heptyloxymethyl)-4-((2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanone maleate (2:1)|1-Propanone, 1-(3-((heptyloxy)methyl)-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (E)-2-butenedioate (2:1) (salt)|(E)-but-2-enedioic acid; 1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CAS: 106909-63-1
| Molecular Formula | C50H82N2O12 |
|---|---|
| Molecular Weight | 902.5868 g/mol |
| LogP | 8.7198 |
| Topological Polar Surface Area | 210.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 34 |
| Exact Mass | 902.5868 |
| Monoisotopic Mass | 902.5868 |
| Heavy Atoms | 64 |
| Complexity | 1480.8934 |
Chemical Identifiers
| CAS Number | 106909-63-1 |
|---|---|
| SMILES | CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.CCCCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056937 (CAS 106909-63-1), with molecular formula C50H82N2O12 and molecular weight 902.5868 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(1-[3-(heptoxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one).
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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