CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Diazepam is an off-white to yellow crystalline powder. Practically odorless. Tasteless at first with a bitter aftertaste. (NTP, 1992) |
|---|---|
| Color/Form | Colorless to light yellow crysytals |
| Odor | Practically no odor |
| Melting Point | 257 to 259 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| LogP | 2.82 |
| Decomposition | When heated to decomp it emits very toxic fumes of hydrogen chloride and NO(x) |
| Caco2 Permeability | -4.32 |
| Dissociation Constants | 3.4 |
| Collision Cross Section | 164.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2425 2436 2460 2486 2409 2404 2407 2404 2405 2440 2477 2464 2475 2415 2438 2461 2426 2439 2440 2460 2480 2485 2407 2425 2425 2471 2425.8 2429 2438.4 2430 2432.9 2442.9 2444.2 2452 2425 2430 2434 2448 2404 2407 2408 2408 2408 2410 2410 2410 2410 2410 2415 2417 2419 2425 2410 2436 2415 2425 2448.5 2439 2474 2405 2405 |
| Other Experimental Properties | Diazepam was reported as 67% removed during simulated drinking water treatment processes employing powder activated carbon, an absorbate. |
COMPUTED DESCRIPTORS
| Molecular Weight | 284.74 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 284.0716407 g/mol |
| Monoisotopic Mass | 284.0716407 g/mol |
| Topological Polar Surface Area | 32.7 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 403 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Diazepam is an off-white to yellow crystalline powder. Practically odorless. Tasteless at first with a bitter aftertaste. (NTP, 1992)