CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Crystals. Melting point 60 °C. Used as an antihistamine. |
|---|---|
| Color/Form | Crystals |
| Boiling Point | 374 to 379 °F at 3 mmHg (NTP, 1992) |
| Melting Point | 140 °F (NTP, 1992) |
| Solubility | 15.6 mg/L (at 24 °C) |
| LogP | 4.81 |
| LogS | -4.26 |
| Stability/Shelf Life | In general, promethazine HCl exhibits increasing stability with decreasing pH. /Promethazine HCl/ |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/. |
| Dissociation Constants | 9 |
| Collision Cross Section | 163.7 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2260 2254 2254 2234 2280 2270 2256 2276 2280 2259 2271.9 2269.8 2278.5 2272 2260 2259 2232.1 2256.5 |
| Other Experimental Properties | The osmolality of promethazine HCl 25 mg/mL was determined to be 291 mOsm/kg; pH = 4-5.5 /Promethazine hydrogen chloride/ |
| Chemical Classes | Other Uses -> Pharmaceuticals |
COMPUTED DESCRIPTORS
| Molecular Weight | 284.4 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 284.13471982 g/mol |
| Monoisotopic Mass | 284.13471982 g/mol |
| Topological Polar Surface Area | 31.8 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 298 |
| 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
Crystals. Melting point 60 °C. Used as an antihistamine.