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359513

Sigma-Aldrich

1-Acetylpiperazine

99%

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About This Item

Empirical Formula (Hill Notation):
C6H12N2O
CAS Number:
13889-98-0
Molecular Weight:
128.17
Beilstein:
112220
EC Number:
237-659-0
MDL number:
MFCD00058676
UNSPSC Code:
12352100
PubChem Substance ID:
24862084
NACRES:
NA.22

Quality Level

200

Assay

99%

mp

31-34 °C (lit.)

solubility

methanol: soluble 1 g/10 mL, clear, colorless to faintly greenish-yellow

SMILES string

CC(=O)N1CCNCC1

InChI

1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3

InChI key

PKDPUENCROCRCH-UHFFFAOYSA-N

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General description

Infrared and Raman spectra of 1-acetylpiperazine have been recorded in the region of 4000-40cm-1.

Application

1-Acetylpiperazine may be used in the synthesis of series of 7-alkoxyl substituted indolizinoquinoline-5,12-dione derivatives and 2-substituted-N-(naphth-1-ylmethyl)-pyrimidin-4-amines and 2-substituted-N-benzhydrylpyrimidin-4-amines.

Signal Word

Danger

Hazard Statements

H302 - H314 - H334 - H335

Hazard Classifications

Acute Tox. 4 Oral - Resp. Sens. 1A - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Nesrin Emir et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 127, 388-395 (2014-03-19)
Infrared and Raman spectra of 1-acetylpiperazine (1-ap) have been recorded in the region of 4000-40cm(-1). The conformational isomers, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of 1-ap (C6H12N2O) have been examined by density functional theory (DFT), with
Zu-Ping Wu et al.
Archiv der Pharmazie, 345(3), 175-184 (2011-10-13)
A series of novel 7-alkoxyl substituted indolizinoquinoline-5,12-dione derivatives were synthesized. The cholinesterase inhibition assays indicated that most synthesized compounds exhibited good activity for acetylcholinesterase (AChE) and high selectivity index of AChE over butyrylcholinesterase (BuChE). Compound 12b exhibited the most potent
Tarek Mohamed et al.
Bioorganic & medicinal chemistry letters, 21(19), 5881-5887 (2011-08-30)
A group of 2-substituted N-(naphth-1-ylmethyl)pyrimidin-4-amines (6a-k) and N-benzhydrylpyrimidin-4-amines (7a-k) in conjunction with varying steric and electronic properties at the C-2 position were designed, synthesized and evaluated as dual cholinesterase and amyloid-β (Aβ)-aggregation inhibitors. The naphth-1-ylmethyl compound 6f (2-(4-cyclohexylpiperazin-1-yl)-N-(naphth-1-ylmethyl)pyrimidin-4-amine) exhibited optimum

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