CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 250 °C at 2.20E+01 mm Hg |
|---|---|
| Melting Point | 190 °C |
| Solubility | 7460 mg/L (at 25 °C) |
| LogP | 0.65 |
| LogS | -1.39 |
| Dissociation Constants | 8.14 (at 15 °C) |
| Kovats Retention Index | 1495 1497 1457 1465 1462 1465 1490 1500 1500 1461 1478 1467 1469 1482 1480 1480 1480 1481 1496 1500 1500 1519 1480 1480 1465 1500.7 1472.3 1497 1480 1500 1497 1473 1480 1482 1495 1495 1490 1490 |
COMPUTED DESCRIPTORS
| Molecular Weight | 184.19 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 184.08479225 g/mol |
| Monoisotopic Mass | 184.08479225 g/mol |
| Topological Polar Surface Area | 75.3 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 247 |
| 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
5,5-diethylbarbituric acid is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid). It has a role as a drug allergen.