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4-(Pyridin-4-yl)-1,3-thiazol-2-amine
BUTTPARK 37\12-54 · IFLAB-BB F0537-0969 · 4-(4-pyridyl)thiazol-2-amine · 4-(4-pyridyl)-2-thiazolamine · 2-AMINO-4-(4-PYRIDYL)THIAZOLE · 4-pyridin-4-yl-2-thiazolamine · 4-(4-PYRIDINYL)-2-THIAZOLAMINE · [4-(4-pyridyl)thiazol-2-yl]amine
Identifikatoren & physikalische Daten
| CAS No. | 30235-28-0 |
|---|---|
| Summenformel | C8H7N3S |
| Durchschnittliche Molmasse | 177,23 g/mol |
| Monoisotopische Masse | 177,03606841 g/mol |
| SMILES | Nc1nc(-c2ccncc2)cs1 |
| InChIKey | CUSJGENRTWNHPV-UHFFFAOYSA-N |
| PubChem CID | 930237 |
| ChEMBL | CHEMBL500685 |
| EC No. | 673-119-4 |
| DTXSID | DTXSID00358992 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 80 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 147 |
| Schmelzpunkt | 270-272 °C |
| Siedepunkt | 378.9±17.0 °C(Predicted) |
| Dichte | 1.333±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMF: 5 mg/mlDMSO: 10 mg/mlDMSO:PBS (pH 7.2) (1:10): 0.1 mg/mlEthanol: 0.14 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 2.89±0.10(Predicted) |
| InChI | 1S/C8H7N3S/c9-8-11-7(5-12-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11) |
| InChIKey | CUSJGENRTWNHPV-UHFFFAOYSA-N |
| SMILES | Nc1nc(cs1)-c2ccncc2 |
| CAS Datenbank | 30235-28-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2934100090 |
| R-Sätze (R) | 36/37/38-41-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-PYRIDIN-4-YL-THIAZOL-2-YLAMINE is a synthetic intermediate useful for pharmaceutical synthesis.