HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Piperidincarbonsure
PIPERIDINE-4-CARBOXYLIC ACID · 4-PIPERIDINECARBOXYLIC ACID · Inp-OH · H-INP-OH · Piperidin-4-carboxylic acid · H-PIC(4)-OH · h-dl-inp-oh · Isonipecotic aci
Identifikatoren & physikalische Daten
| CAS No. | 498-94-2 |
|---|---|
| Summenformel | C6H11NO2 |
| Durchschnittliche Molmasse | 129,16 g/mol |
| Monoisotopische Masse | 129,07897859 g/mol |
| SMILES | O=C(O)C1CCNCC1 |
| InChIKey | SRJOCJYGOFTFLH-UHFFFAOYSA-N |
| PubChem CID | 3773 |
| ChEMBL | CHEMBL279998 |
| EC No. | 207-872-3 |
| DTXSID | DTXSID9060100 |
| Lokaler Name | 4-Piperidincarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | -3 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 108 |
| Schmelzpunkt | >300 °C(lit.) |
| Siedepunkt | 239.22°C (rough estimate) |
| Dichte | 1.1426 (rough estimate) |
| Brechungsindex | 1.4587 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Watersoluble |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | pK1:3.73(+1)pK2:10.72(0) (25°C) |
| Farbe | White to faint pink-beige |
| Merck | 14,5189 |
| BRN | 112553 |
| InChI | InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9) |
| InChIKey | SRJOCJYGOFTFLH-UHFFFAOYSA-N |
| SMILES | N1CCC(C(O)=O)CC1 |
| CAS Datenbank | 498-94-2(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Piperidinecarboxylic acid (498-94-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.3% (1 of 79) of reports.WarningH315 (98.7%): 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 79 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 18-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/203534-Piperidinecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (98.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| RTECS-Nr. | NS5150000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
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