CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 115 °C |
| Solubility | Crystals; decomp at 258.5 °C; pH of 1% aq soln 5.5-6.0; solubility (g/100 mL): water at 25 °C 1.0, alcohol 6, chloroform 5; more soluble in methanol; very slightly soluble in ether, benzene /Hydrochloride/ |
| LogP | 4.49 |
| Dissociation Constants | 8.7 |
| Collision Cross Section | 175.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
| Kovats Retention Index | 2236 2226 2226 2240 2260 2240.6 2254.2 2226 2230 2233 2236 2236 2236 2211 2250 2275 2275 2280 |
| Other Experimental Properties | White or slightly off white, crystalline powder ... very faint odor /Hydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 301.5 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 301.240564612 g/mol |
| Monoisotopic Mass | 301.240564612 g/mol |
| Topological Polar Surface Area | 23.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 314 |
| 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
Trihexyphenidyl is an amine.