HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Isochinolin-1-amin
ISOQUINOLIN-1-AMINE · 1-isoquinolylamine · -Aminoisoquinoline · 1-AMINOISOQUINOLINE · TIMTEC-BB SBB004129 · Isoquinoline-1-amine · ISOQUINOLIN-1-YLAMINE · 1-AMinoisoquinoline 99%
Identifikatoren & physikalische Daten
| CAS No. | 1532-84-9 |
|---|---|
| Summenformel | C9H8N2 |
| Durchschnittliche Molmasse | 144,17 g/mol |
| Monoisotopische Masse | 144,06874826 g/mol |
| SMILES | Nc1nccc2ccccc12 |
| InChIKey | OSILBMSORKFRTB-UHFFFAOYSA-N |
| PubChem CID | 73742 |
| ChEMBL | CHEMBL62083 |
| EC No. | 216-243-2 |
| DTXSID | DTXSID40165283 |
| Lokaler Name | Isochinolin-1-amin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| LogP (Verteilungskoeffizient) | 1.9 |
| Schmelzpunkt | 122-124 °C (lit.) |
| Siedepunkt | 166°C/8mmHg(lit.) |
| Dichte | 1.1148 (estimate) |
| Brechungsindex | 1.7080 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | pK1: 7.62(+1) (20°C,μ=0.01) |
| Farbe | Light yellow to Brown to Dark green |
| InChI | InChI=1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11) |
| InChIKey | OSILBMSORKFRTB-UHFFFAOYSA-N |
| SMILES | C1(N)C2=C(C=CC=C2)C=CN=1 |
| CAS Datenbank | 1532-84-9(CAS DataBase Reference) |
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933499090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Aminoisoquinoline was used in the synthesis of pyrimidoisoquinolinone.