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1-Isopropyl-1H-indazol-5-ylamine 3HCl salt
1-Isopropyl-1H-indazol-5-ylamine 3HCl salt ID: B203976
CAS:928821-18-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1(ncc2c1ccc(c2)N)C(C)C	
FORMULA: C10H13N3
MASS: 175.2303
EXACT MASS: 175.1109474
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.5334     0.0000 
   C   3    0.4743     0.8160     0.0000 
   C   4    0.7701     0.7913     0.4750     0.0000 
   C   5    0.7750     0.4689     0.7701     0.4743     0.0000 
   C   6    0.8632     1.2852     0.4744     0.8248     1.2197     0.0000 
   C   7    1.2198     1.2538     0.8248     0.4745     0.8632     0.9583 
   C   8    0.5287     0.9875     0.8475     1.2590     1.3015     1.0177 
   C   9    1.4125     1.5955     0.9448     0.8167     1.2756     0.8248 
   C  10    1.2756     1.6078     0.8167     0.9448     1.4125     0.4745 
   N  11    1.8897     2.0433     1.4229     1.2527     1.6817     1.2618 
   C  12    0.8570     1.3641     1.0146     1.4796     1.6207     0.9917 
   C  13    0.8069     1.1182     1.2114     1.5763     1.5201     1.4170 

              C   7      C   8      C   9      C  10      N  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6687     0.0000 
   C   9    0.4746     1.7576     0.0000 
   C  10    0.8249     1.4908     0.4750     0.0000 
   N  11    0.8209     2.2294     0.4781     0.8269     0.0000 
   C  12    1.8230     0.4049     1.8068     1.4508     2.2534     0.0000 
   C  13    2.0150     0.3994     2.1419     1.8896     2.6168     0.6468 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   N   1   -0.2528019151
   N   2   -0.1677631984
   C   3    0.0793826485
   C   4    0.0395045208
   C   5    0.1216157002
   C   6    0.0201633903
   C   7    0.0211484476
   C   8    0.1052975265
   C   9    0.0892388974
   C  10    0.0195885988
   N  11   -0.1280553620
   C  12    0.0263403726
   C  13    0.0263403726


BOND ANGLES
   2    1    3  Nar  Nar  Car    107.988
   2    1    8  Nar  Nar   C3    136.788
   3    1    8  Car  Nar   C3    115.224
   1    2    5  Nar  Nar  Car    101.092
   1    3    4  Nar  Car  Car    108.435
   1    3    6  Nar  Car  Car    130.951
   4    3    6  Car  Car  Car    120.614
   3    4    7  Car  Car  Car    120.624
   3    4    5  Car  Car  Car    108.435
   5    4    7  Car  Car  Car    130.941
   2    5    4  Nar  Car  Car    114.050
   3    6   10  Car  Car  Car    118.779
   4    7    9  Car  Car  Car    118.758
   1    8   12  Nar   C3   C3    132.799
   1    8   13  Nar   C3   C3    120.138
  12    8   13   C3   C3   C3    107.063
  10    9   11  Car  Car  Npl    120.368
   7    9   10  Car  Car  Car    120.618
   7    9   11  Car  Car  Npl    119.014
   6   10    9  Car  Car  Car    120.608


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