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Home Other Building Blocks 1-(4-Acetylphenyl)piperazine

1-(4-Acetylphenyl)piperazine

CAS No.:
51639-48-6
Catalog Number:
AG003CXY
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$17
- +
5g
96%
In Stock USA
United States
$57
- +
25g
96%
In Stock USA
United States
$213
- +
100g
96%
In Stock USA
United States
$650
- +
Product Description
Catalog Number:
AG003CXY
Chemical Name:
1-(4-Acetylphenyl)piperazine
CAS Number:
51639-48-6
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD00005962
IUPAC Name:
1-(4-piperazin-1-ylphenyl)ethanone
InChI:
InChI=1S/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChI Key:
KPXVKKBJROCIJB-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)N1CCNCC1
EC Number:
257-332-6
NSC Number:
109890
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and antimicrobial evaluation of new chalcones containing piperazine or 2,5-dichlorothiophene moiety. Bioorganic & medicinal chemistry letters 20071001
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Synthesis, characterization and antiinflammatory-analgesic properties of 6-(alpha-amino-4-chlorobenzyl)thiazolo [3,2-b]-1,2,4-triazol-5-ols. Arzneimittel-Forschung 20040101
Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP). Journal of medicinal chemistry 20011108
Properties