Nigragilline
(2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one
Also Known As: Nigragillin|Nigragilline|(2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one|1,2alpha,5beta-Trimethyl-4-[(2E,4E)-1-oxohexa-2,4-dienyl]piperazine
CAS: 24779-38-2
| Molecular Formula | C13H22N2O |
|---|---|
| Molecular Weight | 222.17322 g/mol |
| LogP | 1.6697 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.17322 |
| Monoisotopic Mass | 222.17322 |
| Heavy Atoms | 16 |
| Complexity | 296.3077 |
Chemical Identifiers
| CAS Number | 24779-38-2 |
|---|---|
| SMILES | C/C=C/C=C/C(=O)N1C[C@H](N(C[C@@H]1C)C)C |
Product Overview
Nigragilline (CAS 24779-38-2), with molecular formula C13H22N2O and molecular weight 222.17322 g/mol. IUPAC: (2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-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.
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