HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fluoranthen-3-ylamin
3-FLUORANTHENAMINE · 4-Fluoranthenamine · 4-Aminofluoranthene · TIMTEC-BB SBB003376 · 3-AMINOFLUORANTHENE · Fluoranthen-3-amine · 3-AMINOFLUOROANTHENE · fluoranthen-3-ylamine
Identifikatoren & physikalische Daten
| CAS No. | 2693-46-1 |
|---|---|
| Summenformel | C16H11N |
| Durchschnittliche Molmasse | 217,26 g/mol |
| Monoisotopische Masse | 217,08914936 g/mol |
| SMILES | Nc1ccc2c3c(cccc13)-c1ccccc1-2 |
| InChIKey | VHGJAFIHUSTRGB-UHFFFAOYSA-N |
| PubChem CID | 17599 |
| ChEMBL | CHEMBL103583 |
| EC No. | 220-263-7 |
| DTXSID | DTXSID2049260 |
| Lokaler Name | Fluoranthen-3-ylamin |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 300 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 4.2 |
| Schmelzpunkt | 115-117 °C(lit.) |
| Siedepunkt | 347.82°C (rough estimate) |
| Dichte | 1.1227 (rough estimate) |
| Brechungsindex | 1.8230 (estimate) |
| Lagerbedingungen | 2-8°C(protect from light) |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 4.21±0.30(Predicted) |
| Farbe | White to Amber |
| InChI | 1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2 |
| InChIKey | VHGJAFIHUSTRGB-UHFFFAOYSA-N |
| SMILES | Nc1ccc2-c3ccccc3-c4cccc1c24 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29214990 |
| RTECS-Nr. | LL4000000 |
| R-Sätze (R) | 22-51/53 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 61 |
| Gefahrenklasse | 9Acute Tox. 4 OralAquatic Chronic 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Fluoranthen-3-amine has been studied as a possible fluorescent probes for ligand-binding assays of odorant-binding proteins.