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2-methylquinolin-5-amine
2-methylquinolin-5-amine ID: AN-8584
CAS:54408-50-3
Supplier:AN PharmaTech Co Ltd

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SMILES:n1c2c(c(N)ccc2)ccc1C	148683
FORMULA: C10H10N2
MASS: 158.1998
EXACT MASS: 158.0843983
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    3.5080     0.0000 
   C   3    1.7760     1.7320     0.0000 
   C   4    1.0416     2.6457     1.0000     0.0000 
   C   5    2.6902     1.0000     1.0000     1.7320     0.0000 
   C   6    2.0693     2.0073     1.0417     1.7761     1.7603     0.0000 
   C   7    1.0416     3.6691     2.0694     1.8002     3.0694     1.8002 
   C   8    1.7603     3.0000     1.7320     1.0000     2.0000     2.6903 
   C   9    1.8001     3.0490     1.8002     2.0694     2.7088     1.0417 
   C  10    3.0415     1.7320     1.7320     2.0000     1.0000     2.6799 
   C  11    2.6799     2.6457     2.0000     1.7320     1.7320     3.0416 
   C  12    1.7701     4.6483     3.0693     2.7152     4.0692     2.7151 
   H  13    2.6893     1.7865     1.4559     2.3301     1.8711     0.6200 
   H  14    1.8548     3.6200     2.2901     1.4158     2.6200     3.1851 
   H  15    2.3593     3.4079     2.3594     2.6893     3.2062     1.4559 
   H  16    3.6615     1.8396     2.2900     2.6199     1.4157     3.1709 
   H  17    3.1709     3.1407     2.6199     2.2900     2.2900     3.6615 
   H  18    2.1526     4.5776     3.1360     2.9762     4.1204     2.5798 
   H  19    2.3255     5.2594     3.6893     3.3074     4.6893     3.3073 
   H  20    1.5498     4.7989     3.1266     2.5799     4.1121     2.9762 
   H  21    4.0574     0.6200     2.2900     3.1407     1.4158     2.6272 
   H  22    3.5612     0.6201     1.8397     2.8292     1.4158     1.7670 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.7088     0.0000 
   C   9    1.0416     3.0694     0.0000 
   C  10    3.6767     1.7320     3.5322     0.0000 
   C  11    3.5322     1.0000     3.6767     1.0000     0.0000 
   C  12    0.9999     3.5302     1.7701     4.6528     4.4272     0.0000 
   H  13    2.3594     3.1812     1.4560     2.8621     3.3913     3.2148 
   H  14    2.8838     0.6200     3.4192     2.2901     1.4158     3.5800 
   H  15    1.4558     3.6893     0.6200     4.0814     4.2806     1.8858 
   H  16    4.2811     2.2900     4.0793     0.6200     1.4158     5.2629 
   H  17    4.0793     1.4157     4.2811     1.4158     0.6200     4.9376 
   H  18    1.1765     3.8761     1.5497     4.8108     4.7082     0.6200 
   H  19    1.6200     4.0798     2.3255     5.2626     5.0023     0.6201 
   H  20    1.1766     3.2664     2.1527     4.5742     4.2194     0.6200 
   H  21    4.2747     3.3533     3.6688     1.8397     2.8292     5.2590 
   H  22    3.5421     3.3533     2.7811     2.2901     3.1408     4.4805 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.7143     0.0000 
   H  15    1.6658     4.0334     0.0000 
   H  16    3.2668     2.8059     4.6048     0.0000 
   H  17    4.0041     1.6199     4.8890     1.6200     0.0000 
   H  18    2.9931     4.0054     1.4683     5.4034     5.2550     0.0000 
   H  19    3.7810     4.0758     2.3349     5.8749     5.4941     0.8768 
   H  20    3.5328     3.2187     2.3929     5.1933     4.6815     1.2400 
   H  21    2.3816     3.9665     4.0199     1.7320     3.2380     5.1969 
   H  22    1.3812     3.9665     3.0468     2.4522     3.6739     4.3307 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    5.8720     5.3922     0.0000 
   H  22    5.0742     4.7079     1.0739     0.0000 



ATOMIC CHARGES
   N   1   -0.2518196904
   N   2   -0.3574529936
   C   3    0.0210244258
   C   4    0.0730171477
   C   5    0.0338277258
   C   6   -0.0491190125
   C   7    0.0389297484
   C   8   -0.0356144213
   C   9   -0.0400084171
   C  10   -0.0403429915
   C  11   -0.0579818391
   C  12   -0.0223378548
   H  13    0.0625214046
   H  14    0.0638897818
   H  15    0.0635528398
   H  16    0.0636083556
   H  17    0.0618797595
   H  18    0.0292489295
   H  19    0.0292489295
   H  20    0.0292489295
   H  21    0.1423396214
   H  22    0.1423396214


BOND ANGLES
   4    1    7  Car  Nar  Car    119.566
   5    2   21  Car  Npl   HC    120.002
   5    2   22  Car  Npl   HC    119.997
  21    2   22   HC  Npl   HC    120.001
   4    3    5  Car  Car  Car    120.001
   4    3    6  Car  Car  Car    120.884
   5    3    6  Car  Car  Car    119.116
   1    4    3  Nar  Car  Car    120.879
   1    4    8  Nar  Car  Car    119.120
   3    4    8  Car  Car  Car    120.001
   2    5    3  Npl  Car  Car    120.001
   2    5   10  Npl  Car  Car    120.001
   3    5   10  Car  Car  Car    119.999
   3    6    9  Car  Car  Car    119.556
   3    6   13  Car  Car   HC    120.218
   9    6   13  Car  Car   HC    120.225
   1    7    9  Nar  Car  Car    119.555
   1    7   12  Nar  Car   C3    120.223
   9    7   12  Car  Car   C3    120.222
   4    8   11  Car  Car  Car    119.999
   4    8   14  Car  Car   HC    120.001
  11    8   14  Car  Car   HC    120.001
   6    9    7  Car  Car  Car    119.560
   6    9   15  Car  Car   HC    120.215
   7    9   15  Car  Car   HC    120.225
   5   10   11  Car  Car  Car    120.001
   5   10   16  Car  Car   HC    119.998
  11   10   16  Car  Car   HC    120.002
   8   11   10  Car  Car  Car    120.001
   8   11   17  Car  Car   HC    119.998
  10   11   17  Car  Car   HC    120.002
   7   12   18  Car   C3   HC     90.003
   7   12   19  Car   C3   HC    179.974
   7   12   20  Car   C3   HC     90.009
  18   12   19   HC   C3   HC     89.995
  18   12   20   HC   C3   HC    179.974
  19   12   20   HC   C3   HC     89.992


TORSION ANGLES
   7    1    4    3      0.026
   7    1    4    8    179.974
   4    1    7    9      0.026
   4    1    7   12    179.974
  21    2    5    3    179.974
  21    2    5   10      0.026
  22    2    5    3      0.026
  22    2    5   10    179.974
   5    3    4    1    179.974
   5    3    4    8      0.026
   6    3    4    1      0.026
   6    3    4    8    179.974
   4    3    5    2    179.974
   4    3    5   10      0.026
   6    3    5    2      0.026
   6    3    5   10    179.974
   4    3    6    9      0.026
   4    3    6   13    179.974
   5    3    6    9    179.974
   5    3    6   13      0.026
   1    4    8   11    179.974
   1    4    8   14      0.026
   3    4    8   11      0.026
   3    4    8   14    179.974
   2    5   10   11    179.974
   2    5   10   16      0.026
   3    5   10   11      0.026
   3    5   10   16    179.974
   3    6    9    7      0.026
   3    6    9   15    179.974
  13    6    9    7    179.974
  13    6    9   15      0.026
   1    7    9    6      0.026
   1    7    9   15    179.974
  12    7    9    6    179.974
  12    7    9   15      0.026
   1    7   12   18    179.974
   1    7   12   19    179.974
   1    7   12   20      0.026
   9    7   12   18      0.026
   9    7   12   19      0.026
   9    7   12   20    179.974
   4    8   11   10      0.026
   4    8   11   17    179.974
  14    8   11   10    179.974
  14    8   11   17      0.026
   5   10   11    8      0.026
   5   10   11   17    179.974
  16   10   11    8    179.974
  16   10   11   17      0.026