RefChem:1056930
(E)-but-2-enedioic acid;1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one
Also Known As: 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1-methyl-1H-pyrrol-2-yl)-, (E)-2-butenedioate (1:1) (salt)|(E)-but-2-enedioic acid; 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one
CAS: 98696-67-4
| Molecular Formula | C24H32N2O7 |
|---|---|
| Molecular Weight | 460.22095 g/mol |
| LogP | 2.2917 |
| Topological Polar Surface Area | 138.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 460.22095 |
| Monoisotopic Mass | 460.22095 |
| Heavy Atoms | 33 |
| Complexity | 905.0415 |
Chemical Identifiers
| CAS Number | 98696-67-4 |
|---|---|
| SMILES | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CN2C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056930 (CAS 98696-67-4), with molecular formula C24H32N2O7 and molecular weight 460.22095 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)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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