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| Name |
5-Ethyl-5-(1-methyl-1-pentenyl)barbituric acid |
EINECS | N/A |
| CAS No. | 67526-05-0 | Density | 1.095g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H18 N2 O3 | Boiling Point | N/A |
| Molecular Weight | 238.287 | Flash Point | N/A |
| 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 |
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-methyl-1-pentenyl)- (9CI); NSC 120825 |
5-Ethyl-5-(1-methyl-1-pentenyl)barbituric acid Chemical Properties
Molecule structure of 5-Ethyl-5-(1-methyl-1-pentenyl)barbituric acid (CAS NO.67526-05-0):
IUPAC Name: 5-Ethyl-5-[(E)-hex-2-en-2-yl]-1,3-diazinane-2,4,6-trione
Molecular Weight: 238.28292 g/mol
Molecular Formula: C12H18N2O3
Density: 1.095 g/cm3
Index of Refraction: 1.485
Molar Refractivity: 62.37 cm3
Molar Volume: 217.5 cm3
Polarizability: 24.72×10-24 cm3
Surface Tension: 36 dyne/cm
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count: 5
Exact Mass: 238.131742
MonoIsotopic Mass: 238.131742
Topological Polar Surface Area: 75.3
Heavy Atom Count: 17
Complexity: 365
Canonical SMILES: CCCC=C(C)C1(C(=O)NC(=O)NC1=O)CC
Isomeric SMILES: CCC/C=C(\C)/C1(C(=O)NC(=O)NC1=O)CC
InChI: InChI=1S/C12H18N2O3/c1-4-6-7-8(3)12(5-2)9(15)13-11(17)14-10(12)16/h7H,4-6H2,1-3H3,(H2,13,14,15,16,17)/b8-7+
InChIKey: GEIHFBCDLLEMSV-BQYQJAHWSA-N
Classification Code of 5-Ethyl-5-(1-methyl-1-pentenyl)barbituric acid (CAS NO.67526-05-0): Drug / Therapeutic Agent
5-Ethyl-5-(1-methyl-1-pentenyl)barbituric acid Toxicity Data With Reference
| 1. | orl-mus LD50:210 mg/kg | JACSAT Journal of the American Chemical Society. 61 (1939),776. | ||
| 2. | ipr-mus LD50:160 mg/kg | JACSAT Journal of the American Chemical Society. 61 (1939),776. |
5-Ethyl-5-(1-methyl-1-pentenyl)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-5-(1-methyl-1-pentenyl)barbituric acid Specification
5-Ethyl-5-(1-methyl-1-pentenyl)barbituric acid (CAS NO.67526-05-0) is also named as 4-24-00-02012 (Beilstein Handbook Reference) ; BRN 0225363 ; Barbituric acid, 5-ethyl-5-(1-methyl-1-pentenyl)- .
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