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N-tricyclo[3.3.1.13,7]dec-1-ylacetamid
Acetamantadine · Acyladamantamine · AcetaMidoadaMantane · N-Acetyl Amantadine · 1-Adamantylacetamide · 1-Acetamidodamantane · Adamantane acetamide · 1-ACETAMIDOADAMANTANE
![Molekülstruktur von N-tricyclo[3.3.1.13,7]dec-1-ylacetamid](/img/chemical/64153.png)
Identifikatoren & physikalische Daten
| CAS No. | 880-52-4 |
|---|---|
| Summenformel | C12H19NO |
| Durchschnittliche Molmasse | 193,28 g/mol |
| Monoisotopische Masse | 193,14666423 g/mol |
| SMILES | CC(=O)NC12CC3CC(CC(C3)C1)C2 |
| InChIKey | BCVXYGJCDZPKGV-UHFFFAOYSA-N |
| PubChem CID | 64153 |
| EC No. | 212-914-9 |
| DTXSID | DTXSID9061255 |
| Lokaler Name | N-tricyclo[3.3.1.13,7]dec-1-ylacetamid |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 230 |
| Schmelzpunkt | 148-149 °C(lit.) |
| Siedepunkt | 329.52°C (rough estimate) |
| Dichte | 0.9854 (rough estimate) |
| Brechungsindex | 1.4596 (estimate) |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 16.16±0.20(Predicted) |
| Farbe | White to yellow |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14) |
| InChIKey | BCVXYGJCDZPKGV-UHFFFAOYSA-N |
| SMILES | C(NC12CC3CC(CC(C3)C1)C2)(=O)C |
| CAS Datenbank | 880-52-4(CAS DataBase Reference) |
| NIST chemische Informationen | N-(1-adamantyl)acetamide(880-52-4) |
| EPA chemische Informationen | Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl- (880-52-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: N-tricyclo[3.3.1.13,7]dec-1-ylacetamide (EC: 212-914-9) |
| Hazard Classes and Categories | Acute Tox. 4 (91.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242998 |
| RTECS-Nr. | AB4308000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36-24/25-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
A metabolite of Adamantamine