HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Acetyl-4-aminobiphenyl
NSC227192 · 4-PHENYLACETANILIDE · 4-acetylaminobiphenyl · N-Acetyl-4-aMinobiphenyl · N-(p-Phenylphenyl)acetamide · N-(1,1'-Biphenyl-4-yl)acetamide · N-([1,1'-Biphenyl]-4-yl)acetamide · Acetamide, N-[1,1'-biphenyl]-4-yl-
Identifikatoren & physikalische Daten
| CAS No. | 4075-79-0 |
|---|---|
| Summenformel | C14H13NO |
| Durchschnittliche Molmasse | 211,26 g/mol |
| Monoisotopische Masse | 211,09971404 g/mol |
| SMILES | CC(=O)Nc1ccc(-c2ccccc2)cc1 |
| InChIKey | SVLDILRDQOVJED-UHFFFAOYSA-N |
| PubChem CID | 19998 |
| ChEMBL | CHEMBL300429 |
| ChEBI | CHEBI:177487 |
| EC No. | 817-898-2 |
| DTXSID | DTXSID8039243 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 225 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Color/Form | CRYSTALS FROM DILUTED METHANOL |
| Löslichkeit | VERY SOL IN ALC, ACETONE, METHANOLINSOL IN WATERChloroform, Methanol |
| Schmelzpunkt | 172 °C171°C |
| Physical Description | Solid[HSDB] |
| Other Experimental Properties | UV: 4-507 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 2-acetamido/ |
| Siedepunkt | 350.95°C (rough estimate) |
| Dichte | 1.0694 (rough estimate) |
| Brechungsindex | 1.5780 (estimate) |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Solid |
| Farbe | Crystals from MeOH (aq) |
| InChI | InChI=1S/C14H13NO/c1-11(16)15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16) |
| InChIKey | SVLDILRDQOVJED-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=C(C2=CC=CC=C2)C=C1)(=O)C |
| EPA chemische Informationen | Acetamide, N-[1,1'-biphenyl]-4-yl- (4075-79-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Mutagen and tumorigen[RTECS] See Biphenyl. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Non-Human Toxicity Excerpts | NEONATAL ICR/HA MICE WERE INJECTED SC WITH SINGLE DOSE OF 25, 50, & 100 MUG OF 4-ACETYLAMINOBIPHENYL ALONE OR TOGETHER WITH 2.5% PIPERONYL BUTOXIDE IN TRICAPRYLIN. PB INDUCED SYNERGISTIC TOXICITY AND AAB INDUCED DOSE-RELATED HEPATOCARCINOGENICITY IN MALE.N-HYDR OXY-N-ACETYL-4-AMINOBIPHENYL, CARCINOGENIC METABOLITE OF CANCER-INDUCING N-ACETYL-4-AMINOBIPHENYL, INDUCED ATP-ENERGIZED MITOCHONDRIAL VOL CHANGE IN AN IN VITRO MITOCHONDRIAL SYSTEM WHEN COMBINED WITH THIOL REAGENT SUCH AS SHOWDOMYCIN.ACTIVATION OF GUANYLATE CYCLASE DURING THE OXIDATION OF ARYLAMINE CARCINOGENS. |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | TDLo orl-rat: 2770 mg/kg/21W-C:CAR CNREA8 15,188,55 orl-rat TD:4070 mg/kg/34W-C:CAR CNREA8 16,525,56 |
| Gefahrstoffdaten | 4075-79-0(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
N-Acetyl-4-aminobiphenyl is a metabolite of 4-Aminobiphenyl, a procarcinogenic agent.