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6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
heliamine · AKOS 236-89 · AKOS BC-0705 · AKOS BBS-00006335 · TIMTEC-BB SBB005551 · 1H-Inden-1-amine, 2,3-dihydro-, (R)- · 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline · 6,7-Dimethoxy-1,2,3,4-tertahydroisoquinoline
Identifikatoren & physikalische Daten
| CAS No. | 1745-07-9 |
|---|---|
| Summenformel | C11H15NO2 |
| Durchschnittliche Molmasse | 193,24 g/mol |
| Monoisotopische Masse | 193,11027872 g/mol |
| SMILES | COc1cc2c(cc1OC)CNCC2 |
| InChIKey | CEIXWJHURKEBMQ-UHFFFAOYSA-N |
| PubChem CID | 15623 |
| ChEMBL | CHEMBL12367 |
| ChEBI | CHEBI:5637 |
| EC No. | 814-740-4 |
| DTXSID | DTXSID70169835 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 186 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 262 °C |
| Siedepunkt | 175 °C(Press: 10 Torr) |
| Dichte | 1.071±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.01±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChI | InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3 |
| InChIKey | CEIXWJHURKEBMQ-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=C(OC)C(OC)=C2)CCN1 |
| CAS Datenbank | 1745-07-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 22 |
| Toxizität | mouse,LDLo,subcutaneous,180mg/kg (180mg/kg),AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC,"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 244, 1948. |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Occurrence
A simple isoquinoline alkaloid, heliamine has been isolated from Pachycereus pectenaboriginum.
Verwenden
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline is a useful reactant in organic reactions and synthesis.