CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from petroleum ether |
| Melting Point | 86 °C |
| Solubility | Moderately soluble in water, ~ 30 mg/ml |
| LogP | 4.2 |
| Decomposition | When heated to decomposition it emits toxic fumes of NOx. |
| Collision Cross Section | 172.6 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2154 2154 2175 2160 2177 2167.8 2169 2135 2205 2156 |
COMPUTED DESCRIPTORS
| Molecular Weight | 287.4 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 287.224914549 g/mol |
| Monoisotopic Mass | 287.224914549 g/mol |
| Topological Polar Surface Area | 23.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 301 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Procyclidine is a tertiary alcohol that consists of propan-1-ol substituted by a cyclohexyl and a phenyl group at position 1 and a pyrrolidin-1-yl group at position 3. It has a role as a muscarinic antagonist, an antiparkinson drug and an antidyskinesia agent. It is a tertiary alcohol and a member of pyrrolidines.