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2-methyl-4-morpholino-6-nitrobenzenamine
2-methyl-4-morpholino-6-nitrobenzenamine
ID: BP-11949
CAS:468741-20-0
Supplier:BroadPharm

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SMILES:c1(c(c(cc(c1)N1CCOCC1)C)N)[N+](=O)[O-]	
FORMULA: C11H15N3O3
MASS: 237.2551
EXACT MASS: 237.1113414
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6001     0.0000 
   C   3    1.0393     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0393     0.6001     0.0000 
   C   6    0.5999     1.0392     1.2000     1.0392     0.5999     0.0000 
   N   7    1.5854     1.7979     1.5855     1.0375     0.5979     1.0374 
   C   8    2.0766     2.1613     1.7979     1.1979     1.0374     1.5858 
   C   9    2.6133     2.7474     2.3979     1.7979     1.5854     2.0766 
   O  10    2.7474     2.9979     2.7475     2.1613     1.7979     2.1613 
   C  11    2.3978     2.7475     2.6134     2.0767     1.5854     1.7979 
   C  12    1.7979     2.1613     2.0767     1.5859     1.0374     1.1979 
   N  13    1.0375     0.5980     1.0375     1.5855     1.7980     1.5855 
   C  14    1.5856     1.0374     0.5979     1.0374     1.5856     1.7979 
   N  15    0.5980     1.0375     1.5856     1.7980     1.5855     1.0375 
   O  16    1.0356     1.5840     2.0749     2.1599     1.7969     1.1970 
   O  17    1.0357     1.1970     1.7970     2.1599     2.0749     1.5840 

              N   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.6000     0.0000 
   C   9    1.0392     0.6000     0.0000 
   O  10    1.2000     1.0392     0.6000     0.0000 
   C  11    1.0392     1.2000     1.0392     0.6000     0.0000 
   C  12    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   N  13    2.3959     2.7455     3.3366     3.5958     3.3366     2.7455 
   C  14    2.0749     2.1599     2.7461     3.1713     3.1141     2.6118 
   N  15    2.0749     2.6118     3.1141     3.1714     2.7462     2.1599 
   O  16    2.1593     2.7455     3.1710     3.1141     2.6120     2.0749 
   O  17    2.6099     3.1123     3.6442     3.7415     3.3352     2.7441 

              N  13      C  14      N  15      O  16      O  17
              -------------------------------------------------------
   N  13    0.0000 
   C  14    1.1980     0.0000 
   N  15    1.1979     2.0749     0.0000 
   O  16    1.7958     2.6099     0.5979     0.0000 
   O  17    1.0375     2.1594     0.5979     1.0356     0.0000 



ATOMIC CHARGES
   C   1    0.3073273596
   C   2    0.1542053212
   C   3    0.0021797977
   C   4    0.0120041286
   C   5    0.0539091156
   C   6    0.0911848633
   N   7   -0.3026196873
   C   8    0.1230736530
   C   9    0.1635667375
   O  10   -0.3501340573
   C  11    0.1635667375
   C  12    0.1230736530
   N  13   -0.1219576708
   C  14    0.0326950119
   N  15    0.0823701460
   O  16    0.0415262383
   O  17   -0.5759713478


BOND ANGLES
   6    1   15  Car  Car  Ntr    120.017
   2    1    6  Car  Car  Car    119.992
   2    1   15  Car  Car  Ntr    119.991
   1    2   13  Car  Car  Npl    119.991
   3    2   13  Car  Car  Npl    120.008
   1    2    3  Car  Car  Car    120.001
   2    3   14  Car  Car   C3    120.001
   4    3   14  Car  Car   C3    120.001
   2    3    4  Car  Car  Car    119.999
   3    4    5  Car  Car  Car    120.001
   6    5    7  Car  Car  Npl    120.012
   4    5    6  Car  Car  Car    119.992
   4    5    7  Car  Car  Npl    119.996
   1    6    5  Car  Car  Car    120.015
   5    7    8  Car  Npl   C3    120.004
   5    7   12  Car  Npl   C3    119.996
   8    7   12   C3  Npl   C3    120.001
   7    8    9  Npl   C3   C3    119.999
   8    9   10   C3   C3   O3    120.001
   9   10   11   C3   O3   C3    120.001
  10   11   12   O3   C3   C3    119.999
   7   12   11  Npl   C3   C3    120.001
   1   15   16  Car  Ntr   O2    119.991
   1   15   17  Car  Ntr   O-    120.013
  16   15   17   O2  Ntr   O-    119.996


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