HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Isochinolylamin
ISOQUINOLIN-4-AMINE · NSC 170840 · 4-isoquinolylamine · 4-ISOQUINOLINAMINE · 4-lsoquinolylamine · 4-AMINOISOQUINOLINE · isoqulinolin-4-amine · Isoquinolin-4-ylamine
Identifikatoren & physikalische Daten
| CAS No. | 23687-25-4 |
|---|---|
| Summenformel | C9H8N2 |
| Durchschnittliche Molmasse | 144,17 g/mol |
| Monoisotopische Masse | 144,06874826 g/mol |
| SMILES | Nc1cncc2ccccc12 |
| InChIKey | ISIUXVGHQFJYHM-UHFFFAOYSA-N |
| PubChem CID | 90237 |
| ChEMBL | CHEMBL5607745 |
| EC No. | 245-823-8 |
| DTXSID | DTXSID20178351 |
| Lokaler Name | 4-Isochinolylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 108.0 to 112.0 °C |
| Siedepunkt | 360.0±17.0 °C(Predicted) |
| Dichte | 1.210±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 6.29±0.10(Predicted) |
| Farbe | White to Brown |
| InChI | InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2 |
| InChIKey | ISIUXVGHQFJYHM-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=CC=C2)C(N)=CN=1 |
| CAS Datenbank | 23687-25-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933499090 |
| R-Sätze (R) | 22-36 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
4-Isoquinolylamine can be used for synthesis of Rho kinase inhibitors.