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4-amino-2-methylquinoline-6-carboxylic acid
4-amino-2-methylquinoline-6-carboxylic acid ID: B187282
CAS:99984-73-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c12c(nc(cc2N)C)ccc(c1)C(=O)O	
FORMULA: C11H10N2O2
MASS: 202.2093
EXACT MASS: 202.0742276
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2789     0.0000 
   C   3    0.7377     0.7354     0.0000 
   C   4    0.7456     1.9639     1.2919     0.0000 
   C   5    0.7515     1.4883     1.2906     1.2880     0.0000 
   C   6    1.2885     2.2304     1.4950     0.7456     1.9707     0.0000 
   C   7    1.9669     2.9716     2.2362     1.2882     2.5762     0.7412 
   C   8    1.2879     1.2857     1.4822     1.9651     0.7433     2.5763 
   C   9    1.4814     0.7419     1.2797     2.2269     1.2880     2.6801 
   C  10    1.2870     1.2836     0.7495     1.4965     1.9759     1.2992 
   O  11    2.2406     3.4116     2.6930     1.4950     2.6880     1.2919 
   C  12    1.4875     1.9673     1.2963     1.2950     2.2390     0.7504 
   N  13    1.2950     2.2263     1.9663     1.4875     0.7379     2.2331 
   O  14    2.5769     3.4109     2.6919     1.9688     3.2439     1.2885 
   C  15    2.2304     1.2885     1.9619     2.9759     1.9737     3.4109 

              C   7      C   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.2392     0.0000 
   C   9    3.4041     0.7421     0.0000 
   C  10    1.9763     2.2317     1.9639     0.0000 
   O  11    0.7460     3.4133     3.7219     2.5912     0.0000 
   C  12    1.2917     2.6841     2.5761     0.7504     1.9768     0.0000 
   N  13    2.6820     1.2843     1.9624     2.5820     2.5848     2.6876 
   O  14    0.7417     3.8648     3.9360     2.2450     1.2800     1.4946 
   C  15    4.1411     1.2936     0.7490     2.5720     4.4710     3.2433 

              N  13      O  14      C  15
              ---------------------------------
   N  13    0.0000 
   O  14    3.4083     0.0000 
   C  15    2.5779     4.6491     0.0000 



ATOMIC CHARGES
   C   1    0.0346258886
   N   2   -0.2495718411
   C   3    0.0821885551
   C   4    0.0094194504
   C   5    0.0916763695
   C   6    0.0799115674
   C   7    0.3877539519
   C   8    0.0327942422
   C   9    0.0606797913
   C  10    0.0193384499
   O  11   -0.2405521869
   C  12    0.0081218509
   N  13   -0.1279677813
   O  14   -0.2405521869
   C  15    0.0521338790


BOND ANGLES
   3    1    4  Car  Car  Car    121.148
   3    1    5  Car  Car  Car    120.137
   4    1    5  Car  Car  Car    118.715
   3    2    9  Car  Nar  Car    120.054
   1    3    2  Car  Car  Nar    120.502
   2    3   10  Nar  Car  Car    119.642
   1    3   10  Car  Car  Car    119.856
   1    4    6  Car  Car  Car    119.556
   1    5    8  Car  Car  Car    118.988
   1    5   13  Car  Car  Npl    120.781
   8    5   13  Car  Car  Npl    120.231
   4    6    7  Car  Car  Cac    120.098
   4    6   12  Car  Car  Car    119.908
   7    6   12  Cac  Car  Car    119.995
   6    7   11  Car  Cac O.co2    120.621
   6    7   14  Car  Cac O.co2    120.664
  11    7   14 O.co2  Cac O.co2    118.715
   5    8    9  Car  Car  Car    120.242
   8    9   15  Car  Car   C3    120.347
   2    9    8  Nar  Car  Car    120.077
   2    9   15  Nar  Car   C3    119.576
   3   10   12  Car  Car  Car    119.607
   6   12   10  Car  Car  Car    119.925


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