-
Name
5-ethyl-5-(4-methylpent-3-en-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- EINECS
- CAS No. 3625-18-1
- Density 1.087g/cm3
- Solubility
- Melting Point
- Formula C12H18N2O3
- Boiling Point
- Molecular Weight 238.32
- Flash Point
- 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
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid Chemical Properties
Molecular structure of 5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid (CAS NO.3625-18-1) is:
Product Name: 5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid
CAS Registry Number: 3625-18-1
IUPAC Name: 5-ethyl-5-(4-methylpent-3-en-2-yl)-1,3-diazinane-2,4,6-trione
Molecular Weight: 238.28292 [g/mol]
Molecular Formula: C12H18N2O3
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Molar Volume: 219 cm3
Surface Tension: 34.5 dyne/cm
Density: 1.087 g/cm3
Classification Code: Drug / Therapeutic Agent
5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 2mg/kg (2mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972. | |
| dog | LDLo | intravenous | 250ug/kg (0.25mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972. | |
| mouse | LD50 | intraperitoneal | 3500ug/kg (3.5mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Progress in Medical Chemistry. Vol. 8, Pg. 61, 1971. |
| mouse | LD50 | oral | 18mg/kg (18mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972. | |
| rabbit | LDLo | intravenous | 250ug/kg (0.25mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 177, 1972. |
5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid Specification
5-(1,3-Dimethyl-2-butenyl)-5-ethylbarbituric acid , its cas register number is 3625-18-1. It also can be called McN-481 ; Mcneil 481 ; NSC 42268 ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1,3-dimethyl-2-butenyl)-5-ethyl- (9CI) ; Barbituric acid, 5-(1,3-dimethyl-2-butenyl)-5-ethyl- .
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