HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylpiperidin
Piperidine, 3-methyl- · 3PPC · 3-PIPECOLINE · BETA-PIPECOLIN · BETA-PIPECOLINE · 3-PIPECOLINE 99.5% · 3-methyl-piperidin · 3-methylpepiridine
Identifikatoren & physikalische Daten
| CAS No. | 626-56-2 |
|---|---|
| Summenformel | C6H13N |
| Durchschnittliche Molmasse | 99,17 g/mol |
| Monoisotopische Masse | 99,10479942 g/mol |
| SMILES | CC1CCCNC1 |
| InChIKey | JEGMWWXJUXDNJN-UHFFFAOYSA-N |
| PubChem CID | 79081 |
| ChEMBL | CHEMBL279512 |
| EC No. | 210-953-6 |
| DTXSID | DTXSID4029195 |
| Lokaler Name | 3-Methylpiperidin |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 52,1 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Physical Description | 3-methylpiperidine appears as a colorless liquid with a characteristic odor. Less dense than water. Contact may cause severe irritation to skin, eyes, and mucous membranes. Toxic by ingestion, inhalation and skin absorption. |
| Schmelzpunkt | -24 °C |
| Siedepunkt | 125-126 °C/763 mmHg (lit.) |
| Dichte | 0.845 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.447(lit.) |
| Flammpunkt | 63 °F |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | pK1:11.07(+1) (25°C) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | miscible |
| BRN | 79807 |
| InChI | InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3 |
| InChIKey | JEGMWWXJUXDNJN-UHFFFAOYSA-N |
| SMILES | CC1CNCCC1 |
| CAS Datenbank | 626-56-2(CAS DataBase Reference) |
| NIST chemische Informationen | Piperidine, 3-methyl-(626-56-2) |
| EPA chemische Informationen | Piperidine, 3-methyl- (626-56-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Piperidine, 3-methyl- |
| DOT-Kennzeichnung | Corrosive Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 3-METHYLPIPERIDINE neutralizes acids to form salts plus water in exothermic reactions. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Generates flammable gaseous hydrogen in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Highly flammable. Water soluble. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Brandbekämpfung | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Erste Hilfe | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| Isolation and Evacuation | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
Anwendungen & Verwendung
Verwenden
3-Methylpiperidine, is used as a reactant for synthesis of Phenylpropenamide derivatives for anti-hepatitis B virus activity, CB2 receptor agonists for treatment of chronic pain, aurora kinase inhibitors, spiroimidazolidinone NPC1L1 inhibitors, 1,3,5-Oxadiazinones, selective serotonin 5-HT6 receptor antagonists. It is also used as a pharmaceutical intermediate and as a intermediate in organic synthesis.