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| Name |
Ethylisopropylbarbituric acid |
EINECS | N/A |
| CAS No. | 76-76-6 | Density | 1.125g/cm3 |
| PSA | 75.27000 | LogP | 1.06240 |
| Solubility | 1.21g/L(25 oC) | Melting Point |
203°C |
| Formula | C9H14N2O3 | Boiling Point | 335.53°C (rough estimate) |
| Molecular Weight | 198.222 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, intraperitoneal, subcutaneous, and intravenous 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 |
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylethyl)-;Probarbitone;Ethylisopropylbarbituric acid;5-ethyl-5-isopropyl-barbituric acid;Isopropyl ethyl barbituric acid;5-ethyl-5-isopropyl-pyrimidine-2,4,6-trione;Vasalgin;Irenal;Barbituric acid,5-ethyl-5-isopropyl;5-ethyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;PROBARBITAL;5-ethyl-5-i-propyl barbituric acid;5-Aethyl-5-isopropyl-barbitursaeure; |
Ethylisopropylbarbituric acid Chemical Properties
IUPAC Name: 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Empirical Formula: C9H14N2O3
Molecular Weight: 198.2191g/mol
Index of Refraction: 1.464
Molar Refractivity: 48.63 cm3
Molar Volume: 176.1 cm3
Polarizability: 19.27×10-24cm3
Surface Tension: 34.5 dyne/cm
Density: 1.125 g/cm3
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C(C)C
InChI: InChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKey: HHLXJTDUHFBYAU-UHFFFAOYSA-N
Structure of Ethylisopropylbarbituric acid (CAS NO.76-76-6):
.bmp)
Ethylisopropylbarbituric acid Toxicity Data With Reference
| 1. | ipr-rat LDLo:110 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 44 (1932),325. | ||
| 2. | scu-rat LDLo:110 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 26 (1925),371. | ||
| 3. | ipr-mus LDLo:250 mg/kg | 27ZWAY Heffters Handbuch der Experimentelle Pharmakologie. | ||
| 4. | orl-cat LDLo:140 mg/kg | 27ZWAY Heffters Handbuch der Experimentelle Pharmakologie. | ||
| 5. | orl-rbt LDLo:150 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 44 (1932),337. | ||
| 6. | ipr-rbt LDLo:110 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 44 (1932),325. | ||
| 7. | scu-rbt LDLo:200 mg/kg | JACSAT Journal of the American Chemical Society. 45 (1923),243. | ||
| 8. | ivn-rbt LDLo:140 mg/kg | JPPGAR Journal de Physiologie et de Pathologie Generale. 30 (1932),364. | ||
| 9. | orl-bwd LD50:24 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. |
Ethylisopropylbarbituric acid Safety Profile
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
Ethylisopropylbarbituric acid Specification
Ethylisopropylbarbituric acid , its cas register number is 76-76-6. It also can be called 5-24-09-00159 (Beilstein Handbook Reference) ; 5-Ethyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione ; 5-Ethyl-5-isopropylbarbituric acid ; BRN 0167241 ; Ipral ; Irenal ; Isopropyl ethyl barbituric acid ; NSC 120742 ; Probarbital ; Probarbitone ; Vasalgin .
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