CHEMICAL AND PHYSICAL PROPERTIES
| LogP | 2.87 |
|---|---|
| Dissociation Constants | 9.34 - 10.45 |
| Collision Cross Section | 152.1 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | MP: 168-179 °C. Specific optical rotation= -27.5 °C at 25 °C/D (c = 0.97 in methanol). LogP: 2.9=87. pKa1 = 9.34, pKa2 = 10.45. Soluble in acetone, acetonitrile, isopropanol /Tapentadol hydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 221.34 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 221.177964357 g/mol |
| Monoisotopic Mass | 221.177964357 g/mol |
| Topological Polar Surface Area | 23.5 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 193 |
| 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
Tapentadol is an alkylbenzene.