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5-Amino-2-methoxy-3-methylpyridine HCl
5-Amino-2-methoxy-3-methylpyridine HCl ID: B184508
CAS:867012-70-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(cc(c1)N)C)OC.Cl	
FORMULA: C7H11ClN2O
MASS: 174.6280
EXACT MASS: 174.0559907
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7447     0.0000 
   C   3    1.2935     0.7500     0.0000 
   C   4    1.4875     1.2900     0.7426     0.0000 
   C   5    0.7411     1.2875     1.4900     1.2879     0.0000 
   C   6    1.2843     1.4859     1.2875     0.7432     0.7417     0.0000 
   O   7    1.2875     0.7411     1.2915     1.9673     1.9645     2.2270 
   N   8    1.9587     2.2233     1.9588     1.2792     1.2822     0.7375 
  Cl   9    3.4938     2.7720     2.6931     3.3683     4.0340     3.9800 
   C  10    1.9736     1.2951     0.7432     1.2875     2.2333     1.9669 
   C  11    1.4859     1.2843     1.9699     2.5743     2.2270     2.6758 
   H  12    2.7862     2.0516     1.9437     2.6271     3.2965     3.2302 

              O   7      N   8     Cl   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   O   7    0.0000 
   N   8    2.9645     0.0000 
  Cl   9    2.2957     4.6386     0.0000 
   C  10    1.4958     2.5667     2.1015     0.0000 
   C  11    0.7417     3.3968     2.7117     2.2375     0.0000 
   H  12    1.6606     3.8928     0.7500     1.3798     2.2001     0.0000 




ATOMIC CHARGES
   N   1   -0.2089889944
   C   2    0.2208064436
   C   3    0.0326708267
   C   4    0.0199919165
   C   5    0.1200063688
   C   6    0.1080947432
   O   7   -0.4563347508
   N   8   -0.1264349756
  Cl   9   -0.1453996612
   C  10    0.0359662956
   C  11    0.2542221264
   H  12    0.1453996612


BOND ANGLES
   2    1    5  Car  Nar  Car    120.116
   1    2    3  Nar  Car  Car    119.863
   1    2    7  Nar  Car   O3    120.116
   3    2    7  Car  Car   O3    120.021
   2    3   10  Car  Car   C3    120.301
   2    3    4  Car  Car  Car    119.589
   4    3   10  Car  Car   C3    120.110
   3    4    6  Car  Car  Car    120.110
   1    5    6  Nar  Car  Car    120.021
   4    6    5  Car  Car  Car    120.301
   4    6    8  Car  Car  Npl    119.514
   5    6    8  Car  Car  Npl    120.184
   2    7   11  Car   O3   C3    120.021


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