CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 230 °C @ 2 MM HG |
| Melting Point | 217-224 |
| Solubility | 0.1g/100mL |
| LogP | 5.8 |
| Ionization Efficiency | Positive |
| Collision Cross Section | 208.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 3030 3030 3000 3040 3040 3034 3030 3050 3040 3035 3033 3050 |
| Other Experimental Properties | HAS SLIGHT ODOR; TASTELESS; MELTS BETWEEN 217 & 224 °C /MECLIZINE HYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 390.9 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 390.1862766 g/mol |
| Monoisotopic Mass | 390.1862766 g/mol |
| Topological Polar Surface Area | 6.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 448 |
| 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
Meclizine is a diarylmethane.