HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 809338Erstellt: 3. November 2026
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
N-benzyl-4-tert-butylbenzamide · 4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide · Benzamide, 4-(1,1-dimethylethyl)-N-(phenylmethyl)-
https://huagongshe.com/de/chemical/809338
Identifikatoren & physikalische Daten
| CAS No. | 101927-55-3 |
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| Summenformel | C18H21NO |
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| Durchschnittliche Molmasse | 267,4 g/mol |
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| Monoisotopische Masse | 267,16231429 g/mol |
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| SMILES | CC(C)(C)c1ccc(C(=O)NCc2ccccc2)cc1 |
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| InChIKey | YDWFQKUSPZKUPI-UHFFFAOYSA-N |
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| PubChem CID | 809338 |
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| ChEMBL | CHEMBL1517587 |
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| EC No. | 651-538-3 |
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| DTXSID | DTXSID601245126 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
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| Polarare Oberfläche (TPSA) | 29,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 304 |
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| Löslichkeit | <0.6 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 143-144 °C(Solv: dichloromethane (75-09-2)hexane (110-54-3)) |
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| Siedepunkt | 433.2±34.0 °C(Predicted) |
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| Dichte | 1.039±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 15.14±0.46(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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 | Eye Irrit. 2 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319 |
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