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Products Information

P-TOLUIDINE
P-TOLUIDINE
ID: BP-11946
CAS:106-49-0
Supplier:BroadPharm

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SMILES:Nc1ccc(cc1)C	
FORMULA: C7H9N
MASS: 107.1531
EXACT MASS: 107.0734993
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    2.1650     1.2500     0.0000 
   C   4    3.3072     2.1650     1.2500     0.0000 
   C   5    3.7500     2.5000     2.1650     1.2500     0.0000 
   C   6    3.3072     2.1650     2.4999     2.1650     1.2500     0.0000 
   C   7    2.1650     1.2500     2.1650     2.4999     2.1650     1.2500 
   C   8    5.0000     3.7500     3.3072     2.1650     1.2500     2.1650 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    3.3072     0.0000 



ATOMIC CHARGES
   N   1   -0.1280575271
   C   2    0.0890725812
   C   3    0.0177334433
   C   4   -0.0028726014
   C   5   -0.0217644913
   C   6   -0.0028726014
   C   7    0.0177334433
   C   8    0.0310277534


BOND ANGLES
   1    2    3  Npl  Car  Car    120.001
   1    2    7  Npl  Car  Car    120.001
   3    2    7  Car  Car  Car    119.999
   2    3    4  Car  Car  Car    120.001
   3    4    5  Car  Car  Car    120.001
   4    5    6  Car  Car  Car    119.999
   4    5    8  Car  Car   C3    120.001
   6    5    8  Car  Car   C3    120.001
   5    6    7  Car  Car  Car    120.001
   2    7    6  Car  Car  Car    120.001


TORSION ANGLES
   1    2    3    4    179.974
   7    2    3    4      0.026
   2    3    4    5      0.026
   3    4    5    6      0.026
   3    4    5    8    179.974
   4    5    6    7      0.026
   8    5    6    7    179.974
   5    6    7    2      0.026
   1    2    7    6    179.974
   3    2    7    6      0.026