HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Acetylprocainamide
acecainide · acekainid · TIMTEC-BB SBB005970 · n-acetyloprokainamid · N-Acetylprocainamide · N-ACETYLPROCAINAMIDE, 99+% · N-ACETYLPROCAINAMIDE USP/EP/BP · N-Acetylprocainamide (Standard)
Identifikatoren & physikalische Daten
| CAS No. | 32795-44-1 |
|---|---|
| Summenformel | C15H23N3O2 |
| Durchschnittliche Molmasse | 277,36 g/mol |
| Monoisotopische Masse | 277,17902698 g/mol |
| SMILES | CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 |
| InChIKey | KEECCEWTUVWFCV-UHFFFAOYSA-N |
| PubChem CID | 4342 |
| ChEMBL | CHEMBL1097 |
| ChEBI | CHEBI:60728 |
| EC No. | 622-754-5 |
| DTXSID | DTXSID6048414 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 308 |
| Collision Cross Section | 169.16 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 138-140 °C(lit.) |
| Siedepunkt | 500.0±35.0 °C(Predicted) |
| Dichte | 1.097±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | soluble1%, clear, colorless to faintly yellow (1N HCl)soluble 1%, clear, colorless to faintly yellow (1N HCl) |
| pKa (Säurekonstante) | 14.54±0.46(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to off-white |
| Merck | 13,20 |
| InChI | 1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19) |
| InChIKey | KEECCEWTUVWFCV-UHFFFAOYSA-N |
| SMILES | CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3249 |
| RTECS-Nr. | AE1974350 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
antiprotozoal