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Purin-2,6-diyldiamin
PYRIDINE-2,6-DIAMINE · 9H-PURINE-2,6-DIAMINE · 2-Aminoadenine · 7H-Purine-2,6-diaMine · x79 · X 79 · 26DAPY · nsc743
Identifikatoren & physikalische Daten
| CAS No. | 133762-79-5 |
|---|---|
| Summenformel | C5H6N6 |
| Durchschnittliche Molmasse | 150,14 g/mol |
| Monoisotopische Masse | 150,06539419 g/mol |
| SMILES | Nc1nc(N)c2[nH]cnc2n1 |
| InChIKey | MSSXOMSJDRHRMC-UHFFFAOYSA-N |
| PubChem CID | 30976 |
| ChEMBL | CHEMBL388596 |
| ChEBI | CHEBI:40235 |
| EC No. | 217-605-2 |
| DTXSID | DTXSID0062052 |
| Lokaler Name | Purin-2,6-diyldiamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 107 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 150 |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 285 °C(lit.) |
| Dichte | 1.2562 (rough estimate) |
| Brechungsindex | 1.8750 (estimate) |
| Flammpunkt | 155 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Crystalline Powder or Granules |
| pKa (Säurekonstante) | 8.61±0.20(Predicted) |
| Farbe | White to light yellow |
| Löslichkeit | 2.38 g/L (20 ºC) |
| Merck | 14,2985 |
| BRN | 9624 |
| InChI | 1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11) |
| InChIKey | MSSXOMSJDRHRMC-UHFFFAOYSA-N |
| SMILES | Nc1nc(N)c2nc[nH]c2n1 |
| CAS Datenbank | 1904-98-9(CAS DataBase Reference) |
| NIST chemische Informationen | Purine, 2,6-diamio-(1904-98-9) |
| EPA chemische Informationen | 2,6-Diaminopurine (1904-98-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1H-Purine-2,6-diamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (88.2%) |
| F | 9 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29335990 |
| RTECS-Nr. | US7570000 |
| R-Sätze (R) | 22-36/37/38-40-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-45-36/37-36/37/39-27-36-22 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,6-Diaminopurine can be used as analyte for biological and analytical studies of incorporation of unnatural nucleotides into mutant tRNA and proteins.