CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | CRYSTALS |
| Taste | SLIGHTLY BITTER |
| Melting Point | 141 °C |
| Solubility | 4080 mg/L (at 25 °C) |
| LogP | 1.15 |
| Stability/Shelf Life | STABLE IN AIR |
| Decomposition | When heated to decomp it emits toxic fumes of oxides of nitrogen. /Aprobarbital sodium/ |
| pH | A SATURATED AQUEOUS SOLN IS ACID TO LITMUS |
| Refractive Index | INDEX OF REFRACTION ALPHA: 1.520; BETA: 1.581; GAMMA: 1.600 |
| Dissociation Constants | 7.99 (at 25 °C) |
| Kovats Retention Index | 1619 1627 1594 1594 1620 1610 1610 1592 1598 1600 1620 1621.1 1622 1610 1617 1620 1621 |
| Other Experimental Properties | OPTIC SIGN: -; EXTINCTION: INCLINED |
COMPUTED DESCRIPTORS
| Molecular Weight | 210.23 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 210.10044231 g/mol |
| Monoisotopic Mass | 210.10044231 g/mol |
| Topological Polar Surface Area | 75.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 314 |
| 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
Aprobarbital is a member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by an isopropyl and a prop-1-en-3-yl group at position 5.