77-26-9
Product Name:
BUTALBITAL
Formula:
C11H16N2O3
Synonyms:
5-Allyl-5-isobutylbarbituric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Prisms |
| Taste | Slightly bitter |
| Melting Point | 138.5 |
| Solubility | 1700 mg/L (at 25 °C) |
| LogP | 1.87 |
| Kovats Retention Index | 1674 1634 1637 1670 1690 1694 1658 1642 1670.3 1632 1643 1685 1668 1665.7 |
| Other Experimental Properties | A saturated solution is acid to litmus |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 224.26 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 224.11609238 g/mol |
| Monoisotopic Mass | 224.11609238 g/mol |
| Topological Polar Surface Area | 75.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 327 |
| 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
Butalbital is a member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for treatment of pain and headache. It has a role as a sedative and an analgesic. It is functionally related to a barbituric acid.