HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(±)-2-Propylpiperidin
CONIINE · DL-CONIINE · (±)-Coniine · rac-coniine · (+/-)CONINE · CONIINE, DL- · 2-PROPYLPIPERIDINE · 2-PRIOPYLPIPERIDINE
Identifikatoren & physikalische Daten
| CAS No. | 3238-60-6 |
|---|---|
| Summenformel | C8H17N |
| Durchschnittliche Molmasse | 127,23 g/mol |
| Monoisotopische Masse | 127,13609955 g/mol |
| SMILES | CCCC1CCCCN1 |
| InChIKey | NDNUANOUGZGEPO-UHFFFAOYSA-N |
| PubChem CID | 9985 |
| ChEMBL | CHEMBL21867 |
| ChEBI | CHEBI:229941 |
| EC No. | 221-801-3 |
| DTXSID | DTXSID3046821 |
| Lokaler Name | (±)-2-Propylpiperidin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 71 |
| Löslichkeit | 18 mg/mL |
| Schmelzpunkt | -2 °C-2℃ |
| Physical Description | Liquid |
| Kovats Retention Index | 992 |
| Siedepunkt | 56-60 °C(Press: 13 Torr) |
| Dichte | 0.85 g/mL at 25 °C(lit.) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | pK1:11.24(+1) (25°C,μ=0.5) |
| Farbe | , clear colorless to yellow-green |
| CAS Datenbank | 3238-60-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]H331 (97.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P318, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (97.5%)Acute Tox. 3 (97.5%)Carc. 2 (97.5%) |
| Gesundheitliche Auswirkungen | Disruption of the peripheral nervous systemrespiratory paralysisdeath. |
| Toxizitätsübersicht | (S)-2-Propylpiperidine is a neurotoxin which disrupts the peripheral nervous system. It is toxic to humans and all classes of livestockless than 0.2g is fatal to humans, with death caused by respiratory paralysis. Propylpiperidine has a nicotine-like action in first stimulating and then depressing autonomic ganglia, and a curare-like effect in paralysing the motor nerve endings to the skeletal muscles. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 2 |
| Zollcode |
Anwendungen & Verwendung
Verwenden
Coniine is present in all parts of the plantpoison hemlock (Conium maculatum). It isthe first alkaloid to be synthesized and structure determined. Because of its high toxicity,its clinical application is very limited.