HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
8-Aminooctansaeure
8-AMINOCAPRYLIC ACID · Octanoic acid, 8-amino- · H-AOC(8)-OH · NH2-(CH2)7-COOH · 8-Aminooctanoic · 8-aMino bitterness · 8-Amino-octyl acid · RARECHEM EM WB 0024
Identifikatoren & physikalische Daten
| CAS No. | 1002-57-9 |
|---|---|
| Summenformel | C8H17NO2 |
| Durchschnittliche Molmasse | 159,23 g/mol |
| Monoisotopische Masse | 159,12592878 g/mol |
| SMILES | NCCCCCCCC(=O)O |
| InChIKey | UQXNEWQGGVUVQA-UHFFFAOYSA-N |
| PubChem CID | 66085 |
| ChEMBL | CHEMBL196105 |
| ChEBI | CHEBI:143265 |
| EC No. | 213-687-9 |
| DTXSID | DTXSID00143007 |
| Lokaler Name | 8-Aminooctansaeure |
Chemische & physikalische Eigenschaften
| XLogP | -2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 104 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110] |
| Schmelzpunkt | 194 °C (dec.) (lit.) |
| Siedepunkt | 286.0±23.0 °C(Predicted) |
| Dichte | 1.0500 (estimate) |
| Brechungsindex | 1.4630 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Methanol (Very Slightly), Water (Slightly)Soluble in water. |
| pKa (Säurekonstante) | 4.76±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to slightly beige |
| BRN | 1756493 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) |
| InChIKey | UQXNEWQGGVUVQA-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCN |
| CAS Datenbank | 1002-57-9(CAS DataBase Reference) |
| NIST chemische Informationen | 8-Aminocaprylic acid(1002-57-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 42.9% (3 of 7) of reports.WarningH315 (57.1%): 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 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (57.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29224985 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
8-Aminooctanoic acid is involved in the preparation of lactams using enzyme catalyzed aminolysis.