3-Methylpiperidin
3-Methylpiperidine
Grundinformationen
- CAS
626-56-2- Standard-SMILES
CC1CCCNC1- InChIKey
JEGMWWXJUXDNJN-UHFFFAOYSA-N- Summenformel
- C6H13N
- Durchschnittliche Molmasse
- 99,17 g/mol
- Monoisotopische Masse
- 99,10479942
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- 3-Methylpiperidine
- IUPAC
- 3-methylpiperidine
- Lokaler Name
- 3-Methylpiperidin
- Englischer Name
- 3-Methylpiperidine
- Summenformel
- C6H13N
- Molmasse
- 99.17
Namen und Synonyme
3-Methylpiperidine626-56-23-PipecolinePiperidine, 3-methyl-beta-Pipecolinebeta-MethylpiperidineDTXSID4029195FDI976OYASNSC-66494J11.560FDTXCID809195RefChem:94955
Weitere Namen anzeigen
3PPCBETA-PIPECOLIN3-PIPECOLINE 99.5%3-methyl-piperidin3-methylpepiridine3-pipercoline(beta-)
210-953-6.beta.-PipecolineMFCD00005994.beta.-Methylpiperidine3-Methyl-piperidine(+/-)-3-methylpiperidineUNII-FDI976OYAS(R)-(-)-3-Methyl-piperidine
Datenbank-Bezeichner
- CAS
626-56-2- PubChem CID
- 79081
- DTXSID
DTXSID4029195- ChEMBL
CHEMBL279512- UNII
- FDI976OYAS
- EC Number
- 210-953-6
- Nikkaji
- J11.560F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 52,1
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical Description3-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.
Physikochemische Eigenschaften
- Schmelzpunkt
- -24 °C · -24 °C
- Siedepunkt
- 125 · 125-126 °C/763 mmHg (lit.)
- Dichte
- 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.447(lit.)
- Flammpunkt
- 63 °F · 63 °F
- storage temp.
- Flammables area
- pka
- 1 · pK1:11.07(+1) (25°C)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (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.
Gefahrenhinweise
Regulatory InformationChemical: Piperidine, 3-methyl-
DOT LabelCorrosive Flammable Liquid
Fire HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Health HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly 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
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPiperidine, 3-methyl-: ACTIVE
Anwendungen
Verwenden3-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.
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