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| Name |
5-Ethyl-5-(1-methylpropenyl)barbituric acid |
EINECS | N/A |
| CAS No. | 16468-98-7 | Density | 1.138g/cm3 |
| PSA | 75.27000 | LogP | 1.37260 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H14 N2 O3 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 210.233 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic 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-propenyl)- (9CI); NSC 125737; NSC 125738 |
5-Ethyl-5-(1-methylpropenyl)barbituric acid Chemical Properties
Product Name: 5-Ethyl-5-(1-methylpropenyl)barbituric acid (CAS NO.16468-98-7)
Molecular Formula: C10H14N2O3
Molecular Weight: 210.26g/mol
Mol File: 16468-98-7.mol
Density: 1.138g/cm3
Surface Tension: 36.3 dyne/cm
XLogP3-AA: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 5-[(Z)-but-2-en-2-yl]-5-ethyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C(=CC)C
Isomeric SMILES: CCC1(C(=O)NC(=O)NC1=O)/C(=C\C)/C
InChI: InChI=1S/C10H14N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h4H,5H2,
1-3H3,(H2,11,12,13,14,15)/b6-4-
InChIKey: BNEFYUSURPWDHG-XQRVVYSFSA-N
5-Ethyl-5-(1-methylpropenyl)barbituric acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 490mg/kg (490mg/kg) | Journal of the American Chemical Society. Vol. 61, Pg. 353, 1939. | |
| mouse | LD50 | oral | 550mg/kg (550mg/kg) | Journal of the American Chemical Society. Vol. 61, Pg. 353, 1939. |
5-Ethyl-5-(1-methylpropenyl)barbituric acid Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
5-Ethyl-5-(1-methylpropenyl)barbituric acid Specification
5-Ethyl-5-(1-methylpropenyl)barbituric acid ,its CAS NO. is 16468-98-7,the synonyms is 4-24-00-01988 (Beilstein Handbook Reference) ; BRN 0199033 ; Barbituric acid, 5-ethyl-5-(1-methylpropenyl)- ; NSC 125737 ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methyl-1-propenyl)- (9CI) ; Barbituric acid, 5-ethyl-5-(1-methylpropenyl)- .
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