2-Isopropylaniline
  -molcms-05192614232D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -1.0000    1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 H   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
   -3.0000    1.7321    0.0000 H   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
   -4.0000    0.0000    0.0000 H   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
   -3.0000   -1.7321    0.0000 H   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
   -1.0000   -1.7321    0.0000 H   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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3268    1.1133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696    0.3473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13  4  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <ProductName>
2-Isopropylaniline

>  <CASNumber>
643-28-7

>  <MolecularFormula>
C9H13N

>  <MDLNo>
MFCD00007720

>  <MolWt>
135.21

>  <BoilingPoint>
104��C/13mmHg(lit.)

>  <MeltingPoint>
-6.87��C (estimate)

>  <MolFile>


>  <Smiles>
N([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])(C([H])([H])[H])C([H])([H])[H]

$$$$