HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Piperidin-N-carbaldehyd
PIPERIDINE-1-CARBALDEHYDE · nfp · 1-FORMYLPIPERIDINE · 1-PIPERIDINECARBOXALDEHYDE · FORMYLPIPERIDINE · N-Formylpiperidin · 1-Piperidinecarbaldehyde · 1-FormyL
Identifikatoren & physikalische Daten
| CAS No. | 2591-86-8 |
|---|---|
| Summenformel | C6.H11.N.O. |
| Durchschnittliche Molmasse | 113,16 g/mol |
| Monoisotopische Masse | 113,08406397 g/mol |
| SMILES | O=CN1CCCCC1 |
| InChIKey | FEWLNYSYJNLUOO-UHFFFAOYSA-N |
| PubChem CID | 17429 |
| ChEMBL | CHEMBL1232817 |
| ChEBI | CHEBI:193610 |
| EC No. | 219-986-0 |
| DTXSID | DTXSID8043941 |
| Lokaler Name | Piperidin-N-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 76,6 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Excess enthalpy |
| Dichte | 1.019 @25 °C1.019 g/mL at 25 °C(lit.) |
| Siedepunkt | 222.5 °C @760 [mm Hg]222 °C(lit.) |
| Schmelzpunkt | -30.8 °C-31 °C |
| Physical Description | Liquid |
| Dampfdruck | 0.1 mm Hg ( 25 °C) |
| Brechungsindex | n20/D 1.484(lit.) |
| Flammpunkt | 197 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -0.44±0.20(Predicted) |
| Wichte | 1.02 |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | freely soluble |
| BRN | 107697 |
| Dielektrizitätskonstante | 26.149999999999999 |
| InChI | 1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2 |
| InChIKey | FEWLNYSYJNLUOO-UHFFFAOYSA-N |
| SMILES | [H]C(=O)N1CCCCC1 |
| CAS Datenbank | 2591-86-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Piperidinecarboxaldehyde(2591-86-8) |
| EPA chemische Informationen | N-Formylpiperidine (2591-86-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 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: 16-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/182331-Formylpiperidine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Protective Action Criteria (PAC) | 2.7 [mg/m3]29 [mg/m3]180 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29333999 |
| RTECS-Nr. | TN0380000 |
| R-Sätze (R) | 21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37-36 |
| Gefahrenklasse | 6.1(b)Acute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Beschreibung
This simple piperidine base has recently been discovered in the oxygenated fraction from Piper nigrum. The structure has been elucidated from chemical and spectroscopic data.
Verwenden
Solvent for polar and nonpolar compounds, as well as many high polymers; gas absorption; plastics modifiers.