CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless solid; [HSDB] |
|---|---|
| Color/Form | Colorless plates |
| Melting Point | 228 °C |
| Solubility | Sol in chloroform; sparingly sol in ethanol, water and ether |
| Vapor Pressure | 9.3X10-13 mm Hg @ 25 °C /Estimated/ |
| LogP | log Kow = -0.78 @ 25 °C /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 5.6X10-13 atm-cu m/mol @ 25 °C /Estimated/ |
| Stability/Shelf Life | Stable at room temp in closed containers; slightly volatile |
| Optical Rotation | Specific optical rotation (chloroform): -40 deg at 20 °C/D |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Other Experimental Properties | READILY HYDROLYZED WITH ALKALI; REACTS WITH HYDROCHLORIC ACID TO FORM THE CHLORHYDRIN, JACONINE |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 351.4 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 351.16818752 g/mol |
| Monoisotopic Mass | 351.16818752 g/mol |
| Topological Polar Surface Area | 88.6 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 648 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Jacobine is a pyrrolizine alkaloid.