-
Name
5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid
- EINECS
- CAS No. 2964-06-9
- Density 1.063g/cm3
- Solubility
- Melting Point
- Formula C12H20 N2 O3
- Boiling Point °Cat760mmHg
- Molecular Weight 240.302
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Barbituricacid, 5-(1,3-dimethylbutyl)-5-ethyl- (6CI,7CI,8CI); (?à)-5-(1,3-Dimethylbutyl)-5-ethylbarbituricacid; 5-(1,3-Dimethylbutyl)-5-ethylbarbituric acid;5-Ethyl-5-(1,3-dimethylbutyl)barbituric acid; DMBB; DMBEB; Diberal; NSC 31256
- PSA 75.27000
- LogP 2.08860
DIBERAL Chemical Properties
Product Name: Diberal (CAS NO.2964-06-9)
Molecular Formula: C12H20N2O3
Molecular Weight: 240.2988 g/mol
Mol File: 2964-06-9.mol
Density: 1.063 g/cm3
Surface Tension: 33.8 dyne/cm
XLogP3: 2.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count 5
Topological Polar Surface Area: 75.3
Heavy Atom Count: 17
Complexity: 330
DIBERAL Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 2500ug/kg (2.5mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959. |
| dog | LD50 | oral | 10mg/kg (10mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959. |
| mouse | LD50 | intraperitoneal | 17mg/kg (17mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959. |
| mouse | LD50 | oral | 70mg/kg (70mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959. |
| rabbit | LDLo | intravenous | 7mg/kg (7mg/kg) | Journal of the American Chemical Society. Vol. 58, Pg. 1354, 1936. | |
| rat | LD50 | oral | 75mg/kg (75mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959. |
DIBERAL Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
DIBERAL Specification
Diberal ,its CAS NO. is 2964-06-9,the synonyms is 5-Ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid ; 5-(1,3-Dimethylbutyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione ; 5-(1,3-Dimethylbutyl)-5-ethylbarbituric acid ; Diberal ; DMBEB .
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