HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Aminopyrazin
PYRAZIN-2-AMINE · 2-AMINOPYRAZINE · PYRAZINAMINE · PYRAZIN-2-YLAMINE · APZ · NSC 13147 · ENT 60202 · PYRAZINEAMINE
Identifikatoren & physikalische Daten
| CAS No. | 5049-61-6 |
|---|---|
| Summenformel | C4H5N3 |
| Durchschnittliche Molmasse | 95,1 g/mol |
| Monoisotopische Masse | 95,04834716 g/mol |
| SMILES | Nc1cnccn1 |
| InChIKey | XFTQRUTUGRCSGO-UHFFFAOYSA-N |
| PubChem CID | 78747 |
| ChEMBL | CHEMBL1834089 |
| ChEBI | CHEBI:194609 |
| EC No. | 225-748-7 |
| DTXSID | DTXSID80198510 |
| Lokaler Name | 2-Aminopyrazin |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 54,9 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | -0.07 |
| Siedepunkt | 218 °C @760 [mm Hg]167.6°C (rough estimate) |
| Schmelzpunkt | 116 °C118-120 °C (lit.) |
| Dampfdruck | 0.19 [mm Hg] @25 °C |
| Dichte | 1.1031 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 3.22±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Slightly yellow to beige |
| BRN | 107025 |
| InChI | 1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7) |
| InChIKey | XFTQRUTUGRCSGO-UHFFFAOYSA-N |
| SMILES | Nc1cnccn1 |
| LogP (Verteilungskoeffizient) | -0.070 |
| CAS Datenbank | 5049-61-6(CAS DataBase Reference) |
| NIST chemische Informationen | Aminopyrazine(5049-61-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Pyrazinamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Protective Action Criteria (PAC) | 0.076 [ppm]0.83 [ppm]5.0 [ppm] |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339990 |
| R-Sätze (R) | 36/37/38-11 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Aminopyrazine acts as a raw material in a four-component synthesis of imidazolidines. It is also used as an intermediate in synthetic chemistry. In addition, 2-aminopyrazine can be reacted with α-ketohydroximoyl chlorides to form 3-nitrosoimidazo[1,2-a]pyrazines.