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Merck
CN

344729

1-Acetyl-3-methylpiperidine

99%

Synonym(s):

1-(3-Methyl-1-piperidinyl)-ethanone, 1-Acetyl-3-pipecoline

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About This Item

Empirical Formula (Hill Notation):
C8H15NO
CAS Number:
4593-16-2
Molecular Weight:
141.21
NACRES:
NA.22
PubChem Substance ID:
24861276
UNSPSC Code:
12352100
EC Number:
224-983-2
MDL number:
MFCD00015912
Assay:
99%

Key Documents

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InChI key

XKFPNHDGLSYZRC-UHFFFAOYSA-N

InChI

1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3

SMILES string

CC1CCCN(C1)C(C)=O

assay

99%

refractive index

n20/D 1.476 (lit.)

bp

239 °C (lit.)

mp

−15 °C (lit.)

density

0.974 g/mL at 25 °C (lit.)

Application

1-Acetyl-3-methylpiperidine may be employed as piperidine ligand to investigate the enzymatic activity and three-dimensional structure non-peptide ligand-cyclophilin complexes.
Reactant for:
Regioselective amidyl radical cyclization
Regioselective oxidation of cyclic amino compounds

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

224.6 °F - closed cup

flash_point_c

107 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
04819AW

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George Kontopidis et al.
Acta crystallographica. Section D, Biological crystallography, 60(Pt 3), 479-485 (2004-03-03)
Piperidine ligands are described that provide the first examples of non-peptidic ligand structures for the cyclophilin family of proteins. Crystal structures of two ligand complexes are compared with the unliganded protein and show ligand-induced changes in side-chain conformation and water

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