HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Eicosanedioic Acid
Icosanedioic acid · Eicossandioic acid · eicosandioic acid · eicosane diacid · eicosanedioic ancd · Eicosanedioic acid · EicosanedioicAcid>20-Eicosanedioic Acid · 1,20-icosanedioic acid
Identifikatoren & physikalische Daten
| CAS No. | 2424-92-2 |
|---|---|
| Summenformel | C20H38O4 |
| Durchschnittliche Molmasse | 342,5 g/mol |
| Monoisotopische Masse | 342,2770097 g/mol |
| SMILES | O=C(O)CCCCCCCCCCCCCCCCCCC(=O)O |
| InChIKey | JJOJFIHJIRWASH-UHFFFAOYSA-N |
| PubChem CID | 75502 |
| ChEBI | CHEBI:73728 |
| EC No. | 679-934-1 |
| DTXSID | DTXSID7062407 |
Chemische & physikalische Eigenschaften
| XLogP | 7,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 19 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 272 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117] |
| Schmelzpunkt | 127°C |
| Siedepunkt | 234°C/2mmHg(lit.) |
| Dichte | 0.9802 (rough estimate) |
| Brechungsindex | 1.4430 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated)Slightly soluble in water. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.48±0.10(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24) |
| InChIKey | JJOJFIHJIRWASH-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCCCCCCCCCCCCC(O)=O |
| EPA chemische Informationen | Eicosanedioic acid (2424-92-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2917198090 |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Verwenden
Eicosanedioic Acid is an intermediate used to prepare haloperidol-based bivalent ligands targeting dopamine D2-like receptors.