N-Methylpiperidine
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Basic information
- CAS
626-67-5- Standard SMILES
CN1CCCCC1- InChIKey
PAMIQIKDUOTOBW-UHFFFAOYSA-N- Molecular formula
- C6H13N
- Average molar mass
- 99.17 g/mol
- Monoisotopic mass
- 99.10479942
Overview
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.
Names & identifiers
- Preferred name
- N-Methylpiperidine
- IUPAC
- 1-methylpiperidine
- English name
- N-Methylpiperidine
- Molecular formula
- C6H13N
- Molecular weight
- 99.17
Names & synonyms
1-MethylpiperidineN-METHYLPIPERIDINE626-67-5Piperidine, 1-methyl-617374QZN4DTXSID8060822RefChem:163887DTXCID0043420210-959-9methylpiperidinemethylpiperdineLK 20
Show more names
NMPPRN-MEPIPlk201-Pipecolinepiperidine soL1-METHYLPIPERDINE1-methyl-piperidinN-methylpepiridine
1-methylpiperadine1-Methyl-piperidineTP1/Mepiquat chlorideMFCD00006491UN 2399N-methyl piperidineEINECS 210-959-9UN2399
Database identifiers
- CAS
626-67-5- PubChem CID
- 12291
- DTXSID
DTXSID8060822- ChEMBL
CHEMBL281417- UNII
- 617374QZN4
- EC Number
- 210-959-9
- Nikkaji
- J39.106I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 46.1
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Physical Description1-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
Positive
3.01
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Dissociation Constants10.1
Physicochemical properties
- Melting point
- -50 °C · -50 °C
- Boiling point
- 106 · 106-107 °C (lit.)
- Density
- 0.816 g/mL · 0.816 g/mL at 25 °C (lit.)
- vapor pressure
- 35.7 hPa · 35.7hPa at 20℃
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
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.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazard information
Regulatory Information
Chemical: Piperidine, 1-methyl-
REACH registered substance: 1-methylpiperidine (EC: 210-959-9)
Piperidine, 1-methyl-: HSNO Approval: HSR001201 Approved with controls
The 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 LabelFlammable Liquid Corrosive
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
DOT ID and Guide2399 132
Reactive Group
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperidine, 1-methyl-: ACTIVE
Applications
DescriptionThis 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.
UsesReactant 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
Uses1-Methylpiperidine is a 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. It is used in the synthesis of Unsymmetrical ureas, Antibacterial imidazolium, pyrrolidinium, and piperidinium salts, C1-C16 segment of goniodomin A via palladium-catalyzed organostannane thioester coupling.
UsesReactant for: sp3 C-H Bond activation with ruthenium(II) catalysts and C(3)-alkylation of cyclic aminesOne-pot synthesis of Z-cinnamic acidsReactant for synthesis of:Unsymmetrical ureasAntibacterial imidazolium, pyrrolidinium, and piperidinium saltsC1-C16 segment of goniodomin A via palladium-catalyzed organostannane thioester couplingMulti-targeted inhibitors of insulin-like growth factor-1 receptor and members of ErbB-family receptor kinases
General DescriptionA colorless liquid with the odor of pepper. Density 0.816 g / cm3 and flash point 38°F. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.
Upstream & downstream products
Upstream raw materials
Related reactions
181 records
Compound notes
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