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Adamantane-1,3-diamine
13AD · 1,3-Adamantanediamine · 1,3-Diaminoadamantane · 1, 3-Amantadane Diamine · 4. 1,3-diaminoadamantane · Adamantan-1,3-diyldiamin · Adamantane-1,3-diamine,≥98% · 10303-95-4 1,3-Adamantanediamine
Identifikatoren & physikalische Daten
| CAS No. | 10303-95-4 |
|---|---|
| Summenformel | C10H18N2 |
| Durchschnittliche Molmasse | 166,26 g/mol |
| Monoisotopische Masse | 166,14699858 g/mol |
| SMILES | NC12CC3CC(C1)CC(N)(C3)C2 |
| InChIKey | FOLJMFFBEKONJP-UHFFFAOYSA-N |
| PubChem CID | 213512 |
| EC No. | 835-523-0 |
| DTXSID | DTXSID90276893 |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 190 |
| Siedepunkt | 249 °C |
| Dichte | 1.153 |
| Flammpunkt | 122 °C |
| Lagerbedingungen | 2-8°C, protect from light |
| pKa (Säurekonstante) | 10.73±0.40(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| InChI | InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2 |
| InChIKey | FOLJMFFBEKONJP-UHFFFAOYSA-N |
| SMILES | C12(N)CC3CC(CC(N)(C3)C1)C2 |
| CAS Datenbank | 10303-95-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (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 Corr. 1B (100%) |
| Zollcode | 2921.30.5000 |
Herstellung & Synthese
synthetische
1,3-Adamantanediamine synthesis: 1,3-Adamantane dicarboxylic acid (12 g) was mixed with 50 mL of SOCl2 and the mixture was refluxed for 3 h. Excessive SOCl2 was evaporated and 1,3-adamantane dicarbonyl dichloride was obtained as white solid, dissolved in dried benzene and added to cold ammonia solution slowly, during which a white precipitate was formed gradually filtered and then washed the precipitate several times with water to give 1,3-disaminoacyladamantane as white solid, recrystallized from ethanol. White solid, yield 10.58 g (89 %).