HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Acedoben
P-ACETAMIDOBENZOIC ACID · 4-ACETAMIDOBENZOIC ACID · Acedoben · p-acetamidobenzoic · PAAB · P-ACETAMINOBENZOIC ACID · 4-ACETAMIDOBENZOIC ACID FOR SYNTHESIS · p-Acetylamino benzoic acido benzoic acid
Identifikatoren & physikalische Daten
| CAS No. | 556-08-1 |
|---|---|
| Summenformel | C9H9NO3 |
| Durchschnittliche Molmasse | 179,17 g/mol |
| Monoisotopische Masse | 179,05824315 g/mol |
| SMILES | CC(=O)Nc1ccc(C(=O)O)cc1 |
| InChIKey | QCXJEYYXVJIFCE-UHFFFAOYSA-N |
| PubChem CID | 19266 |
| ChEMBL | CHEMBL112687 |
| ChEBI | CHEBI:46171 |
| EC No. | 209-114-7 |
| DTXSID | DTXSID5024392 |
| Lokaler Name | Acedoben |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 207 |
| Stoffklassen | Nitrogen Compounds -> Aminobenzoic AcidsIndustrial compound |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.27 |
| Löslichkeit | less than 1 mg/mL at 70 °F (NTP, 1992)>26.9 [ug/mL] (The mean of the results at pH 7.4)DMSO (Slightly), Methanol (Slightly)<0.1 g/100 mL at 21 ºC |
| Schmelzpunkt | 493.7 °F (NTP, 1992)259-262 °C (dec.)(lit.) |
| Dampfdruck | 0.00000071 [mmHg] |
| Physical Description | P-acetamidobenzoic acid appears as needles or off-white powder. (NTP, 1992)Off-white solid[CAMEO] White powder, insoluble in water[MSDSonline] |
| Siedepunkt | 311.69°C (rough estimate) |
| Dichte | 1.2822 (rough estimate) |
| Brechungsindex | 1.5600 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | pK1: 4.28 (25°C) |
| Aggregatzustand | Powder |
| Farbe | Off-white to slightly beige |
| BRN | 390602 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) |
| InChIKey | QCXJEYYXVJIFCE-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1ccc(cc1)C(O)=O |
| CAS Datenbank | 556-08-1(CAS DataBase Reference) |
| NIST chemische Informationen | N-(4-Carboxyphenyl)acetic acid amide(556-08-1) |
| EPA chemische Informationen | Benzoic acid, 4-(acetylamino)- (556-08-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 53.3% (8 of 15) of all reports.WarningH315 (46.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 15 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21117Benzoic acid, 4-(acetylamino)-: Does not have an individual approval but may be used under an appropriate group standard |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gefahrenübersicht | An irritant to the skin, eyes, and respiratory tractStable under recommended storage conditions. [MSDSonline] |
| Reaktive Gruppe | Acids, Carboxylic |
| Reactivity Profile | Simultaneously an amide and a carboxylic acid. |
| Air and Water Reactions | Water insoluble. |
| Hazard Classes and Categories | Skin Irrit. 2 (46.7%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
Anwendungen & Verwendung
Beschreibung
4-Acetamidobenzoic acid (PAcBA) is a naturally occurring acetylated metabolite of 4-aminobenzoic acid and is a component of the antiviral and immunostimulatory drug inosine pranobex (Inosiplex; Isoprinosine; Methisoprinol).
Verwenden
immune stimulant (component)