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Pyrimidin-2,4,6-triyltriamin
TRIAMINOPYRIMIDINE · PYRIMIDINE-2,4,6-TRIAMINE · AKOS UB-20216 · 2,4,6-Triamino · IFLAB-BB F1918-0050 · 6-TriaMinopyriMidine · 2,4,6-Traminopyrimidne · 2,4,6-Triaminopyrimidin
Identifikatoren & physikalische Daten
| CAS No. | 1004-38-2 |
|---|---|
| Summenformel | C4H7N5 |
| Durchschnittliche Molmasse | 125,13 g/mol |
| Monoisotopische Masse | 125,07014524 g/mol |
| SMILES | Nc1cc(N)nc(N)n1 |
| InChIKey | JTTIOYHBNXDJOD-UHFFFAOYSA-N |
| PubChem CID | 13863 |
| ChEMBL | CHEMBL571518 |
| ChEBI | CHEBI:39857 |
| EC No. | 213-720-7 |
| DTXSID | DTXSID3061394 |
| Lokaler Name | Pyrimidin-2,4,6-triyltriamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Schmelzpunkt | 249-251 °C (lit.) |
| Siedepunkt | 222.58°C (rough estimate) |
| Dichte | 1.2938 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.7100 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO(Sparingly),Methanol(Slightly)36.5 g/L (20 ºC) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 6.84(at 20℃) |
| Farbe | Off-white to beige |
| BRN | 118448 |
| InChI | 1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9) |
| InChIKey | JTTIOYHBNXDJOD-UHFFFAOYSA-N |
| SMILES | Nc1cc(N)nc(N)n1 |
| LogP (Verteilungskoeffizient) | -1.95 at 25℃ |
| CAS Datenbank | 1004-38-2(CAS DataBase Reference) |
| EPA chemische Informationen | 2,4,6-Pyrimidinetriamine (1004-38-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (29.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (70%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26919 |
| Hazard Classes and Categories | Skin Irrit. 2 (30%)Eye Irrit. 2 (30%)STOT SE 3 (29.3%)Aquatic Chronic 3 (70%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,4,6-Triaminopyrimidine is an organic cation used to block paracellular conductance pathways of several epithelia in the rat kidney, ultimately affecting sodium and potassium excretion.