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Aminoacridin
AMINACRINE · Aminoacridine · Aminacrin · Acridin-9-amine · 9AA · 9-acridinamine · Acramine · Acriflex

Identifikatoren & physikalische Daten
| CAS No. | 90-45-9 |
|---|---|
| Summenformel | C13H10N2 |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,08439833 g/mol |
| SMILES | Nc1c2ccccc2nc2ccccc12 |
| InChIKey | XJGFWWJLMVZSIG-UHFFFAOYSA-N |
| PubChem CID | 7019 |
| ChEMBL | CHEMBL43184 |
| ChEBI | CHEBI:74789 |
| EC No. | 201-995-6 |
| DTXSID | DTXSID2024456 |
| Lokaler Name | Aminoacridin |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 207 |
| Löslichkeit | less than 1 mg/mL at 68 °F (NTP, 1992)ethanol: hazy11.65mg/L(24 ºC) |
| Schmelzpunkt | 466 °F (NTP, 1992)238-240℃ |
| Physical Description | 9-aminoacridine appears as yellow needles. Free soluble in alcohol. |
| Kovats Retention Index | 2240 |
| Collision Cross Section | 139.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7024457]138.9 Ų [M+H]+ [CCS Type: DTIonization: ESI+139.0 Ų [M]+ [CCS Type: DTIonization: APCI+138.8 Ų [M+H]+ [CCS Type: DT136.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]147.66 Ų [M+K]+ [CCS Type: TW131.39 Ų [M+H-H2O]+ [CCS Type: TW135 Ų [M+H]+ [CCS Type: TW |
| Siedepunkt | 320.68°C (rough estimate) |
| Dichte | 1.268 |
| Brechungsindex | 1.5014 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 9.99(at 20℃) |
| Aggregatzustand | Solid |
| Farbe | Yellow |
| Merck | 14,407 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15) |
| InChIKey | XJGFWWJLMVZSIG-UHFFFAOYSA-N |
| SMILES | Nc1c2ccccc2nc3ccccc13 |
| CAS Datenbank | 90-45-9(CAS DataBase Reference) |
| EPA chemische Informationen | 9-Aminoacridine (90-45-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 9-Acridinamine9-Aminoacridine: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include gastrointestinal mucosa irritation, nausea and vomiting.ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of NOx. (NTP, 1992) |
| Reaktive Gruppe | Amines, Phosphines, and PyridinesHydrocarbons, Aromatic |
| Reactivity Profile | 9-AMINOACRIDINE is a moderately strong base. Neutralizes acids to form salts plus water in exothermic reactions. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated in combination with strong reducing agents, such as hydrides. |
Anwendungen & Verwendung
Verwenden
Acridine analog. DNA intercalating agent.