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α-Carbolin
9H-pyrido[2,3-b]indole · Α-CARBOLINE · a-Carboline · NSC 67064 · 1-Azacarbazole · alpha-carboline · 9H-Pyridoindole · 1,9-Diazafluorene
Identifikatoren & physikalische Daten
| CAS No. | 244-76-8 |
|---|---|
| Summenformel | C11H8N2 |
| Durchschnittliche Molmasse | 168,19 g/mol |
| Monoisotopische Masse | 168,06874826 g/mol |
| SMILES | c1ccc2c(c1)[nH]c1ncccc12 |
| InChIKey | BPMFPOGUJAAYHL-UHFFFAOYSA-N |
| PubChem CID | 67486 |
| ChEMBL | CHEMBL259556 |
| ChEBI | CHEBI:182292 |
| EC No. | 205-960-6 |
| DTXSID | DTXSID40179148 |
| Lokaler Name | α-Carbolin |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 193 |
| Schmelzpunkt | 210-212°C |
| Siedepunkt | 373℃ |
| Dichte | 1.301 |
| Flammpunkt | 172℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Acetone, DMSO, Methanol (Slightly, Hetaed) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.53±0.30(Predicted) |
| Farbe | Pale Brown |
| InChI | InChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13) |
| InChIKey | BPMFPOGUJAAYHL-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C2=CC=CN=C12 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 1 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Sens. 1 (100%) |
| Zollcode | 2933.99.8290 |
Anwendungen & Verwendung
Verwenden
A carcinogenic compound formed during cooking processes