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1-Benzyl-1H-indazol-5-ylamine 3HCl salt
1-Benzyl-1H-indazol-5-ylamine 3HCl salt ID: B203980
CAS:23856-21-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1(ncc2c1ccc(c2)N)Cc1ccccc1	
FORMULA: C14H13N3
MASS: 223.2731
EXACT MASS: 223.1109474
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.5292     0.0000 
   C   3    0.7634     0.7953     0.0000 
   C   4    0.4731     0.8184     0.4708     0.0000 
   C   5    0.7625     0.4686     0.4730     0.7633     0.0000 
   C   6    0.5208     0.9948     1.2233     0.8044     1.2833     0.0000 
   C   7    0.8632     1.2857     0.8176     0.4724     1.2109     0.9596 
   C   8    1.2109     1.2562     0.4724     0.8176     0.8632     1.6209 
   C   9    1.4088     1.5995     0.8167     0.9427     1.2751     1.7025 
   C  10    1.2751     1.6111     0.9427     0.8167     1.4088     1.4314 
   C  11    0.8086     1.1667     1.5613     1.1733     1.5403     0.3851 
   N  12    1.8802     2.0423     1.2478     1.4150     1.6775     2.1671 
   C  13    1.2319     1.6125     1.9625     1.5396     1.9789     0.7400 
   C  14    0.8691     1.0136     1.6145     1.3256     1.4598     0.6958 
   C  15    1.3152     1.3938     2.0512     1.7737     1.8570     1.1064 
   C  16    1.5764     1.8722     2.3324     1.9368     2.2849     1.1336 
   C  17    1.6074     1.7800     2.3677     2.0320     2.2307     1.2720 

              C   7      C   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.9458     0.0000 
   C   9    0.8176     0.4724     0.0000 
   C  10    0.4724     0.8176     0.4708     0.0000 
   C  11    1.3412     1.9826     2.0857     1.8136     0.0000 
   N  12    1.2496     0.8167     0.4724     0.8176     2.5515     0.0000 
   C  13    1.6065     2.3571     2.4008     2.0695     0.4458     2.8523 
   C  14    1.6123     2.0751     2.2683     2.0727     0.4445     2.7407 
   C  15    2.0489     2.5159     2.7164     2.5135     0.7708     3.1888 
   C  16    2.0428     2.7507     2.8259     2.5093     0.7711     3.2831 
   C  17    2.2295     2.8175     2.9627     2.7019     0.8884     3.4317 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    0.7726     0.0000 
   C  15    0.8904     0.4481     0.0000 
   C  16    0.4460     0.8917     0.7690     0.0000 
   C  17    0.7708     0.7711     0.4417     0.4445     0.0000 



ATOMIC CHARGES
   N   1   -0.2463602941
   N   2   -0.1673925204
   C   3    0.0395180143
   C   4    0.0798396133
   C   5    0.1216281115
   C   6    0.1537772936
   C   7    0.0201768973
   C   8    0.0211486103
   C   9    0.0892388987
   C  10    0.0195887605
   C  11    0.0021047684
   N  12   -0.1280553620
   C  13   -0.0023358660
   C  14   -0.0023358660
   C  15   -0.0002612825
   C  16   -0.0002612825
   C  17   -0.0000184944


BOND ANGLES
   2    1    4  Nar  Nar  Car    109.350
   2    1    6  Nar  Nar   C3    142.686
   4    1    6  Car  Nar   C3    107.964
   1    2    5  Nar  Nar  Car     99.485
   4    3    8  Car  Car  Car    120.186
   4    3    5  Car  Car  Car    107.952
   5    3    8  Car  Car  Car    131.862
   1    4    3  Nar  Car  Car    107.964
   3    4    7  Car  Car  Car    120.186
   1    4    7  Nar  Car  Car    131.850
   2    5    3  Nar  Car  Car    115.249
   1    6   11  Nar   C3  Car    125.754
   4    7   10  Car  Car  Car    119.635
   3    8    9  Car  Car  Car    119.635
  10    9   12  Car  Car  Npl    120.186
   8    9   10  Car  Car  Car    120.180
   8    9   12  Car  Car  Npl    119.635
   7   10    9  Car  Car  Car    120.180
   6   11   13   C3  Car  Car    125.754
   6   11   14   C3  Car  Car    113.833
  13   11   14  Car  Car  Car    120.413
  11   13   16  Car  Car  Car    119.686
  11   14   15  Car  Car  Car    119.445
  14   15   17  Car  Car  Car    120.141
  13   16   17  Car  Car  Car    119.901
  15   17   16  Car  Car  Car    120.413


TORSION ANGLES
   5    2    1    4      0.026
   5    2    1    6    179.974
   8    3    4    1    179.974
   8    3    4    7      0.026
   5    3    4    1      0.026
   5    3    4    7    179.974
   3    4    1    2      0.026
   3    4    1    6    179.974
   7    4    1    2    179.974
   7    4    1    6      0.026
   3    5    2    1      0.026
  11    6    1    2      0.026
  11    6    1    4    179.974
  10    7    4    3      0.026
  10    7    4    1    179.974
   9    8    3    4      0.026
   9    8    3    5    179.974
  12    9   10    7    179.974
   8    9   10    7      0.026
   9   10    7    4      0.026
  13   11    6    1    179.974
  14   11    6    1      0.026
  16   13   11    6    179.974
  16   13   11   14      0.026
  15   14   11    6    179.974
  15   14   11   13      0.026
  17   15   14   11      0.026
  17   16   13   11      0.026
  16   17   15   14      0.026
   4    3    5    2      0.026
   8    3    5    2    179.974
  10    9    8    3      0.026
  12    9    8    3    179.974
  15   17   16   13      0.026