CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] White powder; [MSDSonline] |
|---|---|
| Color/Form | Plates |
| Taste | Bitter |
| Melting Point | 236 °C |
| Solubility | Practically insol in water; freely sol in chloroform; slightly sol in alc, ether |
| Vapor Pressure | 1.8X10-12 mm Hg @ 25 °C /Estimated/ |
| LogP | log Kow = -0.88 @ 25 °C /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 1.8X10-10 atm-cu m/mol @ 25 °C /Estimated/ |
| Stability/Shelf Life | Stability: stable at room temperature in closed containers: best stored under nitrogen -15 °C. |
| Optical Rotation | Specific optical rotation: -55.1 deg @ 25 °C/D (C= 0.034 in chloroform) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Dissociation Constants | pKa = 5.92 /Estimated/ |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.6X10-10 cu cm/molec-sec (Estimated) |
| Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P262:Do not get in eyes, on skin, or on clothing. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 335.4 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 335.17327290 g/mol |
| Monoisotopic Mass | 335.17327290 g/mol |
| Topological Polar Surface Area | 76.1 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 611 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Senecionine is a pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. It has a role as a plant metabolite. It is a lactone, a pyrrolizidine alkaloid and a tertiary alcohol. It is functionally related to a senecionan. It is a conjugate base of a senecionine(1+).