3-methyl-1-(3-methylbenzyl)piperazin-2-one
  -molcms-05152620572D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9  3  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15  1  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <ProductName>
3-methyl-1-(3-methylbenzyl)piperazin-2-one

>  <CASNumber>
1094601-63-4

>  <MolecularFormula>
C13H18N2O

>  <MDLNo>
MFCD06804002

>  <MolWt>
218.29

>  <BoilingPoint>
394.2��42.0 ��C at 760 mmHg

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
N1(CC2=CC=CC(C)=C2)CCNC(C)C1=O

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