HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methoxy-1,2,3,4-tetrahydroisoquinoline
m90104 · 6-Methoxy-1 · AKOS BC-2988 · Longimammatine · CHEMBRDG-BB 4101917 · 4-tetrahydroisoquinolin · 6-Methoxy-1,2,3,4-tetrahydroisoquinolin · 6-Methoxy-1,2,3,4-tetrahydroisochinolin
Identifikatoren & physikalische Daten
| CAS No. | 42923-77-3 |
|---|---|
| Summenformel | C10H13NO |
| Durchschnittliche Molmasse | 163,22 g/mol |
| Monoisotopische Masse | 163,09971404 g/mol |
| SMILES | COc1ccc2c(c1)CCNC2 |
| InChIKey | YYTAYINRPUJPNH-UHFFFAOYSA-N |
| PubChem CID | 39356 |
| ChEMBL | CHEMBL68977 |
| EC No. | 824-738-5 |
| DTXSID | DTXSID60195567 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 149 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Siedepunkt | 144°C/9mmHg(lit.) |
| Dichte | 1.044±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.5660 to 1.5700 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Pale Yellow to Yellow Semi-Solid |
| pKa (Säurekonstante) | 10.02±0.20(Predicted) |
| Farbe | Colorless to Light orange to Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 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 (33.3%) |
| Zollcode | 2933499090 |
| RTECS-Nr. | NX5082000 |
| R-Sätze (R) | 22-51 |
| Gefahrensymbole | Xn |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
6-Methoxy-1,2,3,4-tetrahydroisoquinoline is used in the synthesis of novel spirobicyclic Artemisinin (A777500) analogues for anti-tumor activity.