HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-(1-Cyclohexen-1-yl)-1,5-dime-thyl-2,4,6(1H,3H,5H)-pyrimidintrion
Hexenal · EVIPAL · Dorico · Evipan · Toleran · Citodon · Citopan · Cyclopan
Identifikatoren & physikalische Daten
| CAS No. | 50-09-9 |
|---|---|
| Summenformel | C12H16N2O3 |
| Durchschnittliche Molmasse | 236,27 g/mol |
| Monoisotopische Masse | 236,11609238 g/mol |
| SMILES | CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O |
| InChIKey | UYXAWHWODHRRMR-UHFFFAOYSA-N |
| PubChem CID | 3608 |
| ChEMBL | CHEMBL7728 |
| ChEBI | CHEBI:5706 |
| EC No. | 200-264-9 |
| DTXSID | DTXSID9023122 |
| Lokaler Name | 5-(1-Cyclohexen-1-yl)-1,5-dime-thyl-2,4,6(1H,3H,5H)-pyrimidintrion |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 427 |
| Arzneimittel | DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Barbiturates |
| LogP (Verteilungskoeffizient) | 1.981.71 |
| Löslichkeit | 1.51e+00 g/L434.7mg/L(25 ºC) |
| Schmelzpunkt | 67.00 °C. @ 760.00 mm Hg145-147° |
| Physical Description | Solid |
| Dissociation Constants | 8.2 |
| Siedepunkt | 378.73°C (rough estimate) |
| Dichte | 1.1623 (rough estimate) |
| Brechungsindex | 1.5460 (estimate) |
| Flammpunkt | 11 °C |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 7.99±0.10(Predicted) |
| EPA chemische Informationen | Hexobarbital (56-29-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Gesundheitliche Auswirkungen | They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive. They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive. |
| Expositionspfade | Oral |
| Toxizitätsübersicht | Hexobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABA-A receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. |
| Signs and Symptoms | Symptoms of an overdose typically include sluggishness, incoordination, difficulty in thinking, slowness of speech, faulty judgment, drowsiness or coma, shallow breathing, staggering, and in severe cases coma and death. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3249 |
| RTECS-Nr. | CQ2625000 |
| R-Sätze (R) | 22-39/23/24/25-23/24/25-11 |
| Gefahrensymbole | Xn,T,F |
| Sicherheitshinweise (S) | 36/37/39-45-36/37-16-7 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Medicine (sedative).