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| Name |
5-Allyl-5-phenylbarbituric acid |
EINECS | N/A |
| CAS No. | 115-43-5 | Density | 1.222g/cm3 |
| PSA | 75.27000 | LogP | 1.52410 |
| Solubility | 1.043g/L(25 oC) | Melting Point |
156-157.5° |
| Formula | C13H12 N2 O3 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 244.25 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. Caution: Abuse may lead to habituation or addiction. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | 23/25-36/38-39/23/24/25-23/24/25-11 |
| Molecular Structure |
|
Hazard Symbols | T,F |
| Synonyms |
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-phenyl-5-(2-propenyl)- (9CI); Barbituric acid, 5-allyl-5-phenyl-(6CI,7CI,8CI); 5-Allyl-5-phenylbarbituric acid; 5-Phenyl-5-allylbarbituricacid; Allofenyl; Allophenylum; Alphasem; Alpheba; Alphenal; Alphenate;Dorlotin; Fenallymal; Luxomnin; Phenallymal; Phenallymalum; Prophenal |
5-Allyl-5-phenylbarbituric acid Chemical Properties
Product Name: 5-Allyl-5-phenylbarbituric acid (CAS NO.115-43-5)
Molecular Formula: C13H12N2O3
Molecular Weight: 244.24598g/mol
Mol File: 115-43-5.mol
Einecs: 204-089-9
Density: 1.222 g/cm3
Surface Tension: 43.1 dyne/cm
XLogP3-AA: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: C=CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI: InChI=1S/C13H12N2O3/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/
h2-7H,1,8H2,(H2,14,15,16,17,18)
InChIKey: WOIGZSBYKGQJGL-UHFFFAOYSA-N
5-Allyl-5-phenylbarbituric acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 265mg/kg (265mg/kg) | Farmaco, Edizione Scientifica. Vol. 17, Pg. 390, 1962. | |
| mouse | LD50 | oral | 280mg/kg (280mg/kg) | Farmaco, Edizione Scientifica. Vol. 17, Pg. 390, 1962. | |
| rat | LD50 | intraperitoneal | 233mg/kg (233mg/kg) | Svensk Farmaceutisk Tidskrift. Swedish Journal of Pharmacy. Vol. 56, Pg. 31, 1952. |
5-Allyl-5-phenylbarbituric acid Safety Profile
Poison by ingestion and intraperitoneal routes. Caution: Abuse may lead to habituation or addiction. When heated to decomposition it emits toxic fumes of NOx.
5-Allyl-5-phenylbarbituric acid Specification
5-Allyl-5-phenylbarbituric acid ,its CAS NO. is 115-43-5,the synonyms is 5-Allyl-5-phenylbarbitursaeure ; Acido 5-fenil-5-allilbarbiturico ; Allofenyl ; Allophenylum ; Alphasem ; Alpheba ; Alphenal ; Alphenate ; BRN 0227510 ; EINECS 204-089-9 ; Fenallymal ; Phenallymal ; Phenallymalum ; Prophenal ; Tubergal ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-5-(2-propenyl)- (9CI) ; Barbituric acid, 5-allyl-5-phenyl- .
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