CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | CRYSTALS FROM DIISOPROPYL ETHER |
| Melting Point | 130-131.5 |
| Solubility | 153 mg/L |
| LogP | 1.7 |
| Stability/Shelf Life | STABLE UP TO 5 YR @ 25 °C & UP TO 6% RELATIVE HUMIDITY; LIGHT-SENSITIVE; STABLE IN SOLN BETWEEN PH 2 & 4 /HCL/ |
| Kovats Retention Index | 2980 |
| Other Experimental Properties | WHITE OR PALE YELLOW CRYSTALLINE POWDER; MP: 222-230 °C; DOES NOT EXHIBIT POLYMORPHISM; PKA 5.9; 1 G IS SOL IN ABOUT 12.5 ML WATER, 4 ML ALC, & 285 ML ACETONE /HCL/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 404.5 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 404.23112213 g/mol |
| Monoisotopic Mass | 404.23112213 g/mol |
| Topological Polar Surface Area | 68.3 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 582 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Benzquinamide is a monocarboxylic acid amide. It has a role as an antiemetic, a sedative, a H1-receptor antagonist, a muscarinic antagonist and an antipsychotic agent.