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1,3-Dimethyltricyclo[3.3.1.13,7]decan
1,3-DIMETHYL ADAMANTINE · Dimethyladamantane · MeMantine Related CoMpound A · 1,3-Dimethyladamanta · Memantine USP RC A · 1, 3-dimethylfungane · 3-Dimethyl Adamantane · Adamantane Impurity A
![Molekülstruktur von 1,3-Dimethyltricyclo[3.3.1.13,7]decan](/img/chemical/12800.png)
Identifikatoren & physikalische Daten
| CAS No. | 702-79-4 |
|---|---|
| Summenformel | C12H20 |
| Durchschnittliche Molmasse | 164,29 g/mol |
| Monoisotopische Masse | 164,15650064 g/mol |
| SMILES | CC12CC3CC(C1)CC(C)(C3)C2 |
| InChIKey | CWNOIUTVJRWADX-UHFFFAOYSA-N |
| PubChem CID | 12800 |
| ChEBI | CHEBI:47900 |
| EC No. | 211-870-8 |
| DTXSID | DTXSID1049439 |
| Lokaler Name | 1,3-Dimethyltricyclo[3.3.1.13,7]decan |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 182 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -30 °C |
| Siedepunkt | 201.5 °C |
| Dichte | 0.886 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.478(lit.) |
| Flammpunkt | 127 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | clear liquid |
| Wichte | 0.886 |
| Farbe | Colorless to Almost colorless |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Flammable. |
| InChI | InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3 |
| InChIKey | CWNOIUTVJRWADX-UHFFFAOYSA-N |
| SMILES | C12(C)CC3CC(CC(C)(C3)C1)C2 |
| CAS Datenbank | 702-79-4(CAS DataBase Reference) |
| NIST chemische Informationen | Adamantane, 1,3-dimethyl-(702-79-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23627 |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29021990 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16-60 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1,3-Dimethyladamantane is a dimethylated adamantane derivative. Memantine impurity A. Memantine Related Compound A (1,3-Dimethyladamantane).