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1-Methylpiperidin
1-METHYLPIPERIDINE · NMPPR · N-MEPIP · lk20 · 1-Pipecoline · piperidine soL · 1-METHYLPIPERDINE · 1-methyl-piperidin
Identifikatoren & physikalische Daten
| CAS No. | 626-67-5 |
|---|---|
| Summenformel | C6H13N |
| Durchschnittliche Molmasse | 99,17 g/mol |
| Monoisotopische Masse | 99,10479942 g/mol |
| SMILES | CN1CCCCC1 |
| InChIKey | PAMIQIKDUOTOBW-UHFFFAOYSA-N |
| PubChem CID | 12291 |
| ChEMBL | CHEMBL281417 |
| EC No. | 210-959-9 |
| DTXSID | DTXSID8060822 |
| Lokaler Name | 1-Methylpiperidin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 46 |
| Physical Description | 1-methylpiperidine appears as a colorless liquid with the odor of pepper. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals. |
| Ionization Efficiency | Positive3.012.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Dissociation Constants | 10.1 |
| Kovats Retention Index | 76676975076076374977992893410039579679819869999591020 |
| Schmelzpunkt | -50 °C |
| Siedepunkt | 106-107 °C (lit.) |
| Dichte | 0.816 g/mL at 25 °C (lit.) |
| Dampfdruck | 35.7hPa at 20℃ |
| Brechungsindex | n20/D 1.438 |
| Flammpunkt | 38 °F |
| Lagerbedingungen | −20°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)miscible |
| pKa (Säurekonstante) | 10.08(at 25℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| pH | 12 (100g/l, H2O, 20℃) |
| Explosionsgrenze | 1.1-9.9%(V) |
| Biologische Quelle | synthetic |
| BRN | 1073 |
| Henry-Konstante | 2.4×10-1 mol/(m3Pa) at 25℃, Abraham et al. (1994) |
| Dielektrizitätskonstante | 2.5899999999999999 |
| InChI | 1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3 |
| InChIKey | PAMIQIKDUOTOBW-UHFFFAOYSA-N |
| SMILES | CN1CCCCC1 |
| LogP (Verteilungskoeffizient) | 1.15 at 25℃ |
| CAS Datenbank | 626-67-5(CAS DataBase Reference) |
| NIST chemische Informationen | Piperidine, 1-methyl-(626-67-5) |
| EPA chemische Informationen | Piperidine, 1-methyl- (626-67-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H301 (41.6%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (40.5%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (41.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (40.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (39.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H331 (40.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]H412 (40.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, 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 279 reports by companies from 10 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. |
|---|---|
| Regulatorische Informationen | Chemical: Piperidine, 1-methyl-Status: Active Update: 01-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10100Piperidine, 1-methyl-: HSNO Approval: HSR001201 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid Corrosive |
| Brandgefahren | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024) |
Anwendungen & Verwendung
Beschreibung
This simple piperidine derivative has been obtained from Girgensohnia diptera Bge. It is optically inactive and furnishes a crystalline picrate, m.p. 15 I-2°C and a picrolonate, m.p. 226°C.
Verwenden
Reactant for: ·sp3 C-H Bond activation with ruthenium(II) catalysts and C(3)-alkylation of cyclic amines ·One-pot synthesis of Z-cinnamic acids Reactant for synthesis of: ·Unsymmetrical ureas ·Antibacterial imidazolium, pyrrolidinium, and piperidinium salts ·C1-C16 segment of goniodomin A via palladium-catalyzed organostannane thioester coupling ·Multi-targeted inhibitors of insulin-like growth factor-1 receptor and members of ErbB-family receptor kinases