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Basic Information
| CAS No.: | 66941-81-9 |
|---|---|
| Name: | 5-Allyl-5-(1-methyl-1-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione |
| Molecular Structure: | |
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| Formula: | C11H14N2O3 |
| Molecular Weight: | 222.27 |
| Synonyms: | 5-Allyl-5-(1-methyl-propenyl)-barbitursaeure;5-allyl-5-(1-methyl-propenyl)-barbituric acid;5-Allyl-5-(1-methyl-1-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Allyl-5-(1-methyl-1-propenyl)barbituric acid; |
| Density: | 1.132g/cm3 |
| Boiling Point: | 363.42°C (rough estimate) |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES and ALLYL COMPOUNDS. |
| PSA: | 75.27000 |
| LogP: | 1.53870 |
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5-Allyl-5-(1-methyl-1-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Chemistry
Molecular Structure of 5-Allyl-5-(1-methylpropenyl)barbituric acid (CAS NO.66941-81-9):
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IUPAC Name: 5-[(E)-but-2-en-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Empirical Formula: C11H13N2NaO2S
Molecular Weight: 260.2879
Classification Code: Drug / Therapeutic Agent
Toxicity Data With Reference
| 1. | orl-mus LD50:525 mg/kg | JACSAT Journal of the American Chemical Society. 61 (1939),353. | ||
| 2. | ipr-mus LD50:380 mg/kg | JACSAT Journal of the American Chemical Society. 61 (1939),353. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES and ALLYL COMPOUNDS.