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2,6-dimethoxypyridine-3,5-diamine
2,6-dimethoxypyridine-3,5-diamine ID: AN-35647
CAS:85679-78-3
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1nc(OC)c(N)cc1N)C	3017020
FORMULA: C7H11N3O2
MASS: 169.1811
EXACT MASS: 169.0851266
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.4641     0.0000 
   N   3    1.7320     1.7321     0.0000 
   N   4    2.0000     4.0000     2.6457     0.0000 
   N   5    4.0000     2.0000     2.6458     3.4641     0.0000 
   C   6    1.7320     3.0000     1.7320     1.0000     2.6458     0.0000 
   C   7    2.9999     1.7321     1.7320     2.6457     1.0001     1.7320 
   C   8    2.6457     2.6458     2.0000     1.7320     1.7321     1.0000 
   C   9    1.0000     2.6458     1.0000     1.7320     3.0000     1.0000 
   C  10    2.6457     1.0001     1.0000     2.9999     1.7321     2.0000 
   C  11    1.0000     3.6055     2.0000     3.0000     4.5826     2.6457 
   C  12    3.6055     1.0000     2.0000     4.5826     3.0000     3.6056 
   H  13    3.1407     3.1408     2.6200     1.8396     1.8397     1.4158 
   H  14    2.6200     4.3433     3.1407     0.6200     3.5191     1.4158 
   H  15    1.7733     4.3434     2.8292     0.6201     4.0131     1.4158 
   H  16    4.3433     2.6200     3.1408     3.5191     0.6200     2.8292 
   H  17    4.3433     1.7732     2.8292     4.0130     0.6200     3.1408 
   H  18    1.1766     4.2047     2.5558     3.0634     5.0675     2.9083 
   H  19    1.6200     3.8242     2.3715     3.6200     5.0104     3.2380 
   H  20    1.1766     3.0148     1.4955     3.0634     4.1339     2.5121 
   H  21    3.0148     1.1766     1.4956     4.1339     3.0634     3.1879 
   H  22    3.8242     1.6200     2.3716     5.0104     3.6200     4.0601 
   H  23    4.2047     1.1766     2.5559     5.0675     3.0634     4.0751 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.0000     1.7320     0.0000 
   C  10    1.0000     1.7320     1.7320     0.0000 
   C  11    3.6055     3.4641     1.7320     2.9999     0.0000 
   C  12    2.6458     3.4641     3.0000     1.7321     3.4641     0.0000 
   H  13    1.4158     0.6200     2.2901     2.2901     4.0130     4.0131 
   H  14    2.8291     1.8396     2.2901     3.3532     3.6200     5.0104 
   H  15    3.1408     2.2901     1.8397     3.3533     2.7431     4.8213 
   H  16    1.4158     1.8397     3.3533     2.2901     5.0104     3.6200 
   H  17    1.4158     2.2901     3.3533     1.8397     4.8212     2.7431 
   H  18    4.0750     3.8121     2.1114     3.5504     0.6200     4.0841 
   H  19    4.0600     4.0130     2.2901     3.3532     0.6200     3.5191 
   H  20    3.1879     3.1995     1.5200     2.4824     0.6200     2.8441 
   H  21    2.5121     3.1995     2.4825     1.5201     2.8441     0.6200 
   H  22    3.2380     4.0131     3.3533     2.2901     3.5191     0.6200 
   H  23    2.9083     3.8121     3.5505     2.1115     4.0841     0.6200 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.7320     0.0000 
   H  15    2.4522     1.0739     0.0000 
   H  16    1.7321     3.4641     4.1078     0.0000 
   H  17    2.4522     4.1077     4.5380     1.0739     0.0000 
   H  18    4.3170     3.6727     2.6913     5.4575     5.3469     0.0000 
   H  19    4.5801     4.2400     3.3533     5.4752     5.1927     0.8768 
   H  20    3.7869     3.6727     2.9283     4.6036     4.3206     1.2400 
   H  21    3.7870     4.6036     4.3206     3.6727     2.9282     3.4641 
   H  22    4.5801     5.4752     5.1928     4.2400     3.3533     4.1309 
   H  23    4.3170     5.4575     5.3470     3.6727     2.6913     4.7041 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    2.9109     2.2241     0.0000 
   H  22    3.4641     2.9109     0.8768     0.0000 
   H  23    4.1309     3.4641     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.4783508792
   O   2   -0.4783508792
   N   3   -0.1746902845
   N   4   -0.3538135115
   N   5   -0.3538135115
   C   6    0.0889776841
   C   7    0.0889776841
   C   8   -0.0099616411
   C   9    0.2390744152
   C  10    0.2390744152
   C  11    0.0804684043
   C  12    0.0804684043
   H  13    0.0657696102
   H  14    0.1424722041
   H  15    0.1424722041
   H  16    0.1424722041
   H  17    0.1424722041
   H  18    0.0660468789
   H  19    0.0660468789
   H  20    0.0660468789
   H  21    0.0660468789
   H  22    0.0660468789
   H  23    0.0660468789


BOND ANGLES
   9    1   11  Car   O3   C3    120.001
  10    2   12  Car   O3   C3    119.998
   9    3   10  Car  Nar  Car    119.999
   6    4   14  Car  Npl   HC    120.001
   6    4   15  Car  Npl   HC    120.002
  14    4   15   HC  Npl   HC    119.997
   7    5   16  Car  Npl   HC    119.998
   7    5   17  Car  Npl   HC    120.000
  16    5   17   HC  Npl   HC    120.002
   4    6    8  Npl  Car  Car    119.999
   4    6    9  Npl  Car  Car    120.001
   8    6    9  Car  Car  Car    120.001
   5    7    8  Npl  Car  Car    120.001
   5    7   10  Npl  Car  Car    119.998
   8    7   10  Car  Car  Car    120.001
   6    8    7  Car  Car  Car    119.999
   6    8   13  Car  Car   HC    120.001
   7    8   13  Car  Car   HC    120.001
   1    9    3   O3  Car  Nar    119.999
   1    9    6   O3  Car  Car    120.001
   3    9    6  Nar  Car  Car    120.001
   2   10    3   O3  Car  Nar    120.001
   2   10    7   O3  Car  Car    119.998
   3   10    7  Nar  Car  Car    120.001
   1   11   18   O3   C3   HC     90.000
   1   11   19   O3   C3   HC    179.974
   1   11   20   O3   C3   HC     90.000
  18   11   19   HC   C3   HC     90.000
  18   11   20   HC   C3   HC    179.974
  19   11   20   HC   C3   HC     90.000
   2   12   21   O3   C3   HC     90.000
   2   12   22   O3   C3   HC    179.974
   2   12   23   O3   C3   HC     90.000
  21   12   22   HC   C3   HC     90.000
  21   12   23   HC   C3   HC    179.974
  22   12   23   HC   C3   HC     90.000


TORSION ANGLES
  11    1    9    3      0.026
  11    1    9    6    179.974
   9    1   11   18    179.974
   9    1   11   19    180.000
   9    1   11   20      0.026
  12    2   10    3      0.026
  12    2   10    7    179.974
  10    2   12   21      0.026
  10    2   12   22    180.000
  10    2   12   23    179.974
  10    3    9    1    179.974
  10    3    9    6      0.026
   9    3   10    2    179.974
   9    3   10    7      0.026
  14    4    6    8      0.026
  14    4    6    9    179.974
  15    4    6    8    179.974
  15    4    6    9      0.026
  16    5    7    8      0.026
  16    5    7   10    179.974
  17    5    7    8    179.974
  17    5    7   10      0.026
   4    6    8    7    179.974
   4    6    8   13      0.026
   9    6    8    7      0.026
   9    6    8   13    179.974
   4    6    9    1      0.026
   4    6    9    3    179.974
   8    6    9    1    179.974
   8    6    9    3      0.026
   5    7    8    6    179.974
   5    7    8   13      0.026
  10    7    8    6      0.026
  10    7    8   13    179.974
   5    7   10    2      0.026
   5    7   10    3    179.974
   8    7   10    2    179.974
   8    7   10    3      0.026