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1-Allyl-1H-indazol-5-ylamine 3HCl salt
1-Allyl-1H-indazol-5-ylamine 3HCl salt ID: B203979
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1n(c2c(c1)cc(cc2)N)CC=C	
FORMULA: C10H11N3
MASS: 173.2144
EXACT MASS: 173.0952974
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.5325     0.0000 
   C   3    0.7954     0.7667     0.0000 
   C   4    0.8199     0.4730     0.4750     0.0000 
   C   5    0.4687     0.7666     0.4730     0.7667     0.0000 
   C   6    1.2858     0.8627     0.8176     0.4703     1.2109     0.0000 
   C   7    1.2548     1.2109     0.4703     0.8176     0.8627     0.9416 
   C   8    1.1631     0.8200     1.5807     1.1974     1.5462     1.3794 
   C   9    1.0281     0.8971     1.6414     1.3562     1.4781     1.6486 
   C  10    1.5995     1.4106     0.8166     0.9447     1.2750     0.8176 
   C  11    1.6119     1.2750     0.9447     0.8166     1.4106     0.4703 
   C  12    0.9949     0.5167     1.2233     0.8009     1.2833     0.9596 
   N  13    2.0415     1.8802     1.2470     1.4150     1.6773     1.2464 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0034     0.0000 
   C   9    2.1006     0.4352     0.0000 
   C  10    0.4703     2.1179     2.3008     0.0000 
   C  11    0.8176     1.8496     2.1069     0.4750     0.0000 
   C  12    1.6173     0.4210     0.7334     1.7024     1.4294     0.0000 
   N  13    0.8167     2.5822     2.7712     0.4703     0.8176     2.1644 

              N  13
              -----------
   N  13    0.0000 



ATOMIC CHARGES
   N   1   -0.1673926373
   N   2   -0.2463699483
   C   3    0.0395180137
   C   4    0.0798394657
   C   5    0.1216281109
   C   6    0.0201768967
   C   7    0.0211486103
   C   8    0.0000106725
   C   9   -0.0028579591
   C  10    0.0892388987
   C  11    0.0195887605
   C  12    0.1535264778
   N  13   -0.1280553620


BOND ANGLES
   2    1    5  Nar  Nar  Car     99.735
   1    2    4  Nar  Nar  Car    109.103
   1    2   12  Nar  Nar   C3    142.945
   4    2   12  Car  Nar   C3    107.952
   5    3    7  Car  Car  Car    132.304
   4    3    5  Car  Car  Car    107.952
   4    3    7  Car  Car  Car    119.743
   2    4    6  Nar  Car  Car    132.304
   2    4    3  Nar  Car  Car    107.952
   3    4    6  Car  Car  Car    119.743
   1    5    3  Nar  Car  Car    115.258
   4    6   11  Car  Car  Car    120.513
   3    7   10  Car  Car  Car    120.513
   9    8   12   C2   C2   C3    117.874
   7   10   13  Car  Car  Npl    120.519
   7   10   11  Car  Car  Car    119.743
  11   10   13  Car  Car  Npl    119.737
   6   11   10  Car  Car  Car    119.743
   2   12    8  Nar   C3   C2    121.636


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