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benzene-1,2-diamine
benzene-1,2-diamine
ID: BP-11855
CAS:95-54-5
Supplier:BroadPharm

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SMILES:c1(c(N)cccc1)N	
FORMULA: C6H8N2
MASS: 108.1411
EXACT MASS: 108.0687483
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    0.6010     1.0398     0.0000 
   N   4    1.0398     0.6010     1.2000     0.0000 
   C   5    1.0378     0.5975     1.5863     1.0375     0.0000 
   C   6    0.5975     1.0378     1.0375     1.5863     1.2000     0.0000 
   C   7    1.0375     1.1985     1.5869     1.7995     1.0398     0.6010 
   C   8    1.1985     1.0375     1.7995     1.5869     0.6010     1.0398 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    0.6000     0.0000 



ATOMIC CHARGES
   C   1    0.1057413171
   C   2    0.1057413171
   N   3   -0.1266443825
   N   4   -0.1266443825
   C   5    0.0194324295
   C   6    0.0194324295
   C   7    0.0014706359
   C   8    0.0014706359


BOND ANGLES
   2    1    3  Car  Car  Npl    119.944
   2    1    6  Car  Car  Car    120.140
   3    1    6  Npl  Car  Car    119.917
   1    2    4  Car  Car  Npl    119.944
   1    2    5  Car  Car  Car    120.140
   4    2    5  Npl  Car  Car    119.917
   2    5    8  Car  Car  Car    119.917
   1    6    7  Car  Car  Car    119.917
   6    7    8  Car  Car  Car    119.944
   5    8    7  Car  Car  Car    119.944


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