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| Name |
5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid |
EINECS | N/A |
| CAS No. | 66968-89-6 | Density | 1.123g/cm3 |
| PSA | 66.48000 | LogP | 1.32390 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H16N2O3 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 224.29 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-1-methyl-5-(1-methyl-1-propenyl);5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid;BARBITURIC ACID,5-ETHYL-1-METHYL-5-(1-METHYLPROPENYL);5-Aethyl-1-methyl-5-(1-methyl-propenyl)-barbitursaeure; |
5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid Chemical Properties
Product Name: 5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid (CAS NO.66968-89-6)
Molecular Formula: C11H16N2O3
Molecular Weight: 224.29g/mol
Mol File: 66968-89-6.mol
Density: 1.123g/cm3
Surface Tension: 36.7 dyne/cm
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 5-[(E)-but-2-en-2-yl]-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCC1(C(=O)NC(=O)N(C1=O)C)C(=CC)C
Isomeric SMILES: CCC1(C(=O)NC(=O)N(C1=O)C)/C(=C/C)/C
InChI: InChI=1S/C11H16N2O3/c1-5-7(3)11(6-2)8(14)12-10(16)13(4)9(11)15/h5H,6H2,
1-4H3,(H,12,14,16)/b7-5+
InChIKey: NCVHDTCOFYKMMM-FNORWQNLSA-N
5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 210mg/kg (210mg/kg) | Journal of the American Chemical Society. Vol. 61, Pg. 353, 1939. | |
| mouse | LD50 | oral | 285mg/kg (285mg/kg) | Journal of the American Chemical Society. Vol. 61, Pg. 353, 1939. |
5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid Specification
5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid ,its CAS NO. is 66968-89-6,the synonyms is 5-Ethyl-1-methyl-5-(1-methyl-1-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione ; Barbituric acid, 5-ethyl-1-methyl-5-(1-methylpropenyl)- ; 4-24-00-01988 (Beilstein Handbook Reference) .
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