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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
EC Number:
224-983-2
MDL number:
MFCD00015912
UNSPSC Code:
12352100
PubChem Substance ID:
24861276
NACRES:
NA.22

Key Documents

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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.)

SMILES string

CC1CCCN(C1)C(C)=O

InChI

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

InChI key

XKFPNHDGLSYZRC-UHFFFAOYSA-N

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

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

224.6 °F - closed cup

Flash Point(C)

107 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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