-
Name
5-Ethyl-5β-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
- EINECS
- CAS No. 36226-64-9
- Article Data2
- CAS DataBase
- Density 1.217g/cm3
- Solubility
- Melting Point
- Formula C13H14N2O3
- Boiling Point 389.26°C (rough estimate)
- Molecular Weight 246.29
- Flash Point
- Transport Information
- Appearance
- Safety Poison by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. An hypnotic agent. See also BARBITURATES.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-Ethyl-5-benzylbarbitursaeure;5-Aethyl-5-benzyl-barbitursaeure;Benzylbarbital;Ethylbenzylbarbituric acid;BARBITURIC ACID,5-BENZYL-5-ETHYL;5-benzyl-5-ethyl-pyrimidine-2,4,6-trione;5-Benzyl-5-ethylbarbituric acid;5-ethyl-5-benzyl-barbituric acid;
- PSA 82.25000
- LogP 1.54330
Benzylbarbital Chemical Properties
IUPAC Name: 5-benzyl-5-ethyl-1,3-diazinane-2,4,6-trione
Synonyms of Benzylbarbital (CAS NO.36226-64-9): 5-24-09-00312 (Beilstein Handbook Reference) ; 5-Benzyl-5-ethylbarbituric acid ; BRN 0227913 ; Ethylbenzylbarbituric acid ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(phenylmethyl)-(9CI) ; Barbituric acid, 5-benzyl-5-ethyl-
CAS NO: 36226-64-9
Molecular Formula of Benzylbarbital (CAS NO.36226-64-9): C13H14N2O3
Molecular Weight: 246.2619
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 57.69 Å2
Index of Refraction: 1.544
Molar Refractivity: 63.93 cm3
Molar Volume: 202.3 cm3
Surface Tension: 44.6 dyne/cm
Density of Benzylbarbital (CAS NO.36226-64-9): 1.217 g/cm3
Molecular Structure:
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Benzylbarbital Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 400mg/kg (400mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: NAUSEA OR VOMITING | Journal of Pharmacology and Experimental Therapeutics. Vol. 26, Pg. 371, 1926. |
| mouse | LD50 | intraperitoneal | 73mg/kg (73mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 356, 1947. | |
| rabbit | LDLo | subcutaneous | 60mg/kg (60mg/kg) | Journal of the American Chemical Society. Vol. 45, Pg. 243, 1923. |
Benzylbarbital Safety Profile
Poison by ingestion, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. An hypnotic agent. See also BARBITURATES.
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