M72609
N-Methylpiperidine
99%
Synonym(s):
1-Methylpiperidine
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About This Item
Empirical Formula (Hill Notation):
C6H13N
CAS Number:
Molecular Weight:
99.17
Beilstein:
1073
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
refractive index
n20/D 1.4378 (lit.)
bp
106-107 °C (lit.)
density
0.816 g/mL at 25 °C (lit.)
SMILES string
CN1CCCCC1
InChI
1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
InChI key
PAMIQIKDUOTOBW-UHFFFAOYSA-N
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Related Categories
Application
Reactant for:
Reactant for synthesis of:
- 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
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B
Storage Class Code
3 - Flammable liquids
WGK
WGK 2
Flash Point(F)
37.4 °F - closed cup
Flash Point(C)
3 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Shahid Ullah et al.
Journal of chromatography. A, 1218(37), 6388-6395 (2011-07-28)
A trace analytical method based on high performance liquid chromatography coupled to quadrupole time-of-flight high resolution mass spectrometry was developed for simultaneous determination of perfluoroalkyl phosphonates (PFPAs, carbon chain lengths C6,8,10), perfluoroalkyl carboxylates (PFCAs, C5-12), and perfluoroalkyl sulfonates (PFSAs, C4,6,8,10)
[Studies of pyrazine derivatives. XXV. Synthesis and the tuberculostatic activity of the products of reaction of 5-(6-methoxy- and 5-(6 morpholinopyrazinyl)-1,3,4-oxadiazol-2-thione with amines].
D Pancechowska-Ksepko et al.
Acta poloniae pharmaceutica, 45(5), 373-379 (1988-01-01)
N D Henderson et al.
Anti-cancer drug design, 11(6), 421-438 (1996-09-01)
Bioreducible anti-tumour agents are prodrugs which are intended to be inactive in normal cells, but are able to undergo metabolic reduction in cancer cells to produce toxic species that can damage biomolecules. A series of N-oxides of heterocyclic aliphatic amines
Francisc Potmischil et al.
Magnetic resonance in chemistry : MRC, 45(3), 231-235 (2007-01-16)
The (15)N chemical shifts of 13 N-methylpiperidine-derived mono-, bi- and tricycloaliphatic tertiary amines, their methiodides and their N-epimeric pairs of N-oxides were measured, and the contributions of specific structural parameters to the chemical shifts were determined by multilinear regression analysis.
A Kolocouris et al.
The Journal of organic chemistry, 66(15), 4989-4997 (2001-07-21)
When a 1-adamantyl or a 2-adamantyl substituent is introduced at the 2-position in N-methylpiperidine, four different chair conformations are possible. Experimental observation using dynamic NMR spectroscopy and molecular mechanics calculations agree that the chair conformation with an equatorial adamantyl group
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