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Pyrimidin-4,5,6-triyltriamin
PYRIMIDINE-4,5,6-TRIAMINE · NSC-145059 · TIMTEC-BB SBB004267 · 4,5,6-TRIAMINOPYRIMIDINE · 4,5,6-Pyrimidinetriamine · 4,5,6-Triaminopyrimidine,>97% · pyrimidine-4,5,6-triyltriamine · 4,5,6-TRIAMINOPYRIMIDINE ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 118-70-7 |
|---|---|
| Summenformel | C4H7N5 |
| Durchschnittliche Molmasse | 125,13 g/mol |
| Monoisotopische Masse | 125,07014524 g/mol |
| SMILES | Nc1ncnc(N)c1N |
| InChIKey | MPNBXFXEMHPGTK-UHFFFAOYSA-N |
| PubChem CID | 67049 |
| ChEMBL | CHEMBL2151973 |
| EC No. | 204-270-2 |
| DTXSID | DTXSID10151996 |
| Lokaler Name | Pyrimidin-4,5,6-triyltriamin |
Chemische & physikalische Eigenschaften
| XLogP | -1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 104 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Schmelzpunkt | 257 °C (decomp)(Solv: water (7732-18-5)) |
| Siedepunkt | 406.2±40.0 °C(Predicted) |
| Dichte | 1.512±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 5.60±0.30(Predicted) |
| InChI | InChI=1S/C4H7N5/c5-2-3(6)8-1-9-4(2)7/h1H,5H2,(H4,6,7,8,9) |
| InChIKey | MPNBXFXEMHPGTK-UHFFFAOYSA-N |
| SMILES | C1=NC(N)=C(N)C(N)=N1 |
| CAS Datenbank | 118-70-7 |
Sicherheit & Vorschriften
| Alarmwort | Warnung |
|---|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
4,5,6-Triaminopyrimidine (pyrimidine-4,5,6-triamine) is a pyrimidine derivative. It can be used in the preparation of 5-pyrimidine-6-yloxypyrazole and pyrazole derivatives, as well as in the preparation of nanofiltration membranes and surface-modified substrates for compounds.