HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 780643Erstellt: 3. November 2026
N-Benzyl-2-phenyl-4-quinazolinamine
N-Benzyl-2-phenyl-4-quinazolinamine · 4-Quinazolinamine, 2-phenyl-N-(phenylmethyl)-
https://huagongshe.com/de/chemical/780643
Identifikatoren & physikalische Daten
| CAS No. | 40288-71-9 |
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| Summenformel | C21H17N3 |
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| Durchschnittliche Molmasse | 311,4 g/mol |
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| Monoisotopische Masse | 311,14224756 g/mol |
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| SMILES | c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1 |
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| InChIKey | WXCHSHPXEPXKFN-UHFFFAOYSA-N |
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| PubChem CID | 780643 |
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| ChEMBL | CHEMBL72650 |
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| EC No. | 662-889-7 |
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| DTXSID | DTXSID101320509 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,3 |
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| Polarare Oberfläche (TPSA) | 37,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 373 |
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| Löslichkeit | 1.2 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 427.4±38.0 °C(Predicted) |
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| Dichte | 1.218±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 5.52±0.30(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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