CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals from acetone |
|---|---|
| Boiling Point | 80 °C @ 0.01 mm Hg |
| Melting Point | 119-120 °C |
| Solubility | Very sol in water, alc; sol in acetone; slightly sol in ether |
| Vapor Pressure | 1.5X10-5 mm Hg @ 25 °C /Estimated/ |
| LogP | log Kow = -0.56 @ 25 °C /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 4.1X10-11 atm-cu m/mol @ 25 °C /Estimated/ |
| Stability/Shelf Life | Stable at room temperature in closed containers; for long periods the substance is best stored under nitrogen at 15 °C. |
| Optical Rotation | Specific optical rotation: +27.4 deg (water)/D, +50.2 deg (alcohol) @ 26 °C/D |
| Dissociation Constants | pKa = 7.75 /Estimated/ |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.2X10-10 cu cm/molec-sec /Estimated/ |
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 | 155.19 g/mol |
|---|---|
| XLogP3 | -1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 155.094628657 g/mol |
| Monoisotopic Mass | 155.094628657 g/mol |
| Topological Polar Surface Area | 43.7 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 191 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
Retronecine is a member of pyrrolizines.