HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Piperidin-3-ol
PIPERIDIN-3-OL · 3-PIPERIDINOL · Benidipine Impurity 17 · 3-hydroxyperidine · 3-HYDROXYPIPERIDINE · 3-Hydroxypiperadine · OEM 3-Hydroxypiperidin · 3-Hydroxypiperidine>3-HYDROXYPIPERIDINE 98%
Identifikatoren & physikalische Daten
| CAS No. | 6859-99-0 |
|---|---|
| Summenformel | C5H11NO |
| Durchschnittliche Molmasse | 101,15 g/mol |
| Monoisotopische Masse | 101,08406397 g/mol |
| SMILES | OC1CCCNC1 |
| InChIKey | BIWOSRSKDCZIFM-UHFFFAOYSA-N |
| PubChem CID | 23293 |
| ChEMBL | CHEMBL22463 |
| EC No. | 229-957-4 |
| DTXSID | DTXSID70870212 |
| Lokaler Name | Piperidin-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 56 |
| Collision Cross Section | 123.27 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Schmelzpunkt | 57-61 °C |
| Siedepunkt | 67-69 °C (2 mmHg) |
| Dichte | 1.016±0.06 g/cm3(Predicted) |
| Flammpunkt | >100°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | ethanol: 0.1 g/mL, clearsoluble |
| pKa (Säurekonstante) | 14.91±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder and Lumps |
| Farbe | White to light yellow |
| pH | 11.5-11.7 (H2O)Aqueous solution |
| BRN | 102696 |
| InChI | 1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2 |
| InChIKey | BIWOSRSKDCZIFM-UHFFFAOYSA-N |
| SMILES | OC1CCCNC1 |
| LogP (Verteilungskoeffizient) | -0.35 |
| CAS Datenbank | 6859-99-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (92.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 30-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/203743-Piperidinol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (92.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3263 8/PG 2 |
| Zollcode | 29333990 |
| R-Sätze (R) | 34-20/21/22-36/37/38 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Eye Dam. 1Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Hydroxypiperidine is usually used for Synthesis of unsymmetrical ureas,Synthesis of piperidine nucleoside analogs,Fluorination reactions,Synthesis of substituted pyridines.