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Home Aminos Ethanone, 1-[4-(2-aminophenyl)-1-piperazinyl]-

Ethanone, 1-[4-(2-aminophenyl)-1-piperazinyl]-

CAS No.:
91646-45-6
Catalog Number:
AG006RJI
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
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Product Description
Catalog Number:
AG006RJI
Chemical Name:
Ethanone, 1-[4-(2-aminophenyl)-1-piperazinyl]-
CAS Number:
91646-45-6
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD03848245
IUPAC Name:
1-[4-(2-aminophenyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C12H17N3O/c1-10(16)14-6-8-15(9-7-14)12-5-3-2-4-11(12)13/h2-5H,6-9,13H2,1H3
InChI Key:
PRAAXUFHOPUWRQ-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1ccccc1N
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties