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p-Aminobenzamid
4-AMINOBENZAMIDE · PARA AMINO BENZAMIDE · DB70 · aminobenzamide · ABAD · SR4329 · Red base DB-70 · p-Aminobenzamid
Identifikatoren & physikalische Daten
| CAS No. | 2835-68-9 |
|---|---|
| Summenformel | C7H8N2O |
| Durchschnittliche Molmasse | 136,15 g/mol |
| Monoisotopische Masse | 136,06366288 g/mol |
| SMILES | NC(=O)c1ccc(N)cc1 |
| InChIKey | QIKYZXDTTPVVAC-UHFFFAOYSA-N |
| PubChem CID | 76079 |
| ChEMBL | CHEMBL332444 |
| ChEBI | CHEBI:182421 |
| EC No. | 220-612-3 |
| DTXSID | DTXSID7038814 |
| Lokaler Name | p-Aminobenzamid |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 128 |
| Stoffklassen | Industrial compound |
| SpringerMaterials Properties | Chemical shift |
| Collision Cross Section | 126.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7038814] |
| Schmelzpunkt | 181-183 °C(lit.) |
| Siedepunkt | 250.42°C (rough estimate) |
| Dichte | 1.1778 (rough estimate) |
| Dampfdruck | 0.001-0.001Pa at 25℃ |
| Brechungsindex | 1.5769 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. |
| pKa (Säurekonstante) | 16.83±0.50(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Off-white to beige |
| BRN | 2079485 |
| InChI | 1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10) |
| InChIKey | QIKYZXDTTPVVAC-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccc(N)cc1 |
| LogP (Verteilungskoeffizient) | -0.38 at 23℃ and pH7 |
| CAS Datenbank | 2835-68-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzamide, 4-amino-(2835-68-9) |
| EPA chemische Informationen | Benzamide, 4-amino- (2835-68-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.8% (2 of 72) of reports.WarningH302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 72 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzamide, 4-amino-Status: Active Update: 28-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/110424-Aminobenzamide: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Acute Tox. 4 (62.5%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| R-Sätze (R) | 20/22-36/38-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 38-37/39-26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Aminobenzamide was used as a poly(ADP-ribose)polymerase (PADPRP) inhhibitor to study the death of target cells by cytotoxic effector cells using the nuclear enzyme poly(ADP-ribose)polymerase (PADPRP).