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4-ethoxypyridin-3-amine
4-ethoxypyridin-3-amine ID: AN-49583
CAS:1633-43-8
Supplier:AN PharmaTech Co Ltd

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SMILES:O(c1c(N)cncc1)CC	817252
FORMULA: C7H10N2O
MASS: 138.1671
EXACT MASS: 138.0793130
INTERATOMIC DISTANCES

              O   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.0000     0.0000 
   N   3    3.0000     2.6457     0.0000 
   C   4    1.0001     1.7320     2.0000     0.0000 
   C   5    1.7321     1.0000     1.7320     1.0000     0.0000 
   C   6    1.0000     3.0000     3.6055     1.7321     2.6458     0.0000 
   C   7    1.7321     2.6457     1.7320     1.0000     1.7320     2.0000 
   C   8    1.7320     3.6055     4.5826     2.6458     3.4641     1.0000 
   C   9    2.6458     1.7320     1.0000     1.7320     1.0000     3.4641 
   C  10    2.6458     3.0000     1.0000     1.7320     2.0000     3.0000 
   H  11    1.5967     3.5888     3.8981     2.1829     3.1512     0.6199 
   H  12    1.0812     2.9560     3.1101     1.4155     2.4059     0.6200 
   H  13    1.8397     3.1408     2.2901     1.4158     2.2901     1.7732 
   H  14    1.5200     3.1879     4.5067     2.5121     3.1995     1.1766 
   H  15    2.2900     4.0601     5.1927     3.2380     4.0130     1.6199 
   H  16    2.1114     4.0750     4.7390     2.9083     3.8121     1.1766 
   H  17    3.1409     1.8397     1.4158     2.2901     1.4158     4.0131 
   H  18    3.1408     3.6200     1.4158     2.2901     2.6200     3.3533 
   H  19    2.6200     0.6200     2.8292     2.2900     1.4158     3.6200 
   H  20    1.7733     0.6200     3.1407     1.8397     1.4158     2.7431 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0000     0.0000 
   C   9    2.0000     4.3589     0.0000 
   C  10    1.0000     4.0000     1.7320     0.0000 
   H  11    2.1944     1.0812     3.8917     3.1671     0.0000 
   H  12    1.4332     1.5968     3.1021     2.4267     0.7971     0.0000 
   H  13    0.6201     2.7430     2.6200     1.4158     1.7992     1.1540 
   H  14    3.0634     0.6200     4.1517     4.0477     1.5200     1.7880 
   H  15    3.6200     0.6200     4.9339     4.6200     1.6309     2.2128 
   H  16    3.0634     0.6200     4.6402     4.0478     0.8924     1.6344 
   H  17    2.6200     4.8708     0.6201     2.2901     4.4691     3.6870 
   H  18    1.4158     4.3433     2.2901     0.6200     3.4185     2.7467 
   H  19    3.1407     4.2100     1.8397     3.3533     4.2079     3.5649 
   H  20    2.8292     3.2070     2.2900     3.3533     3.3572     2.8258 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.9282     0.0000 
   H  15    3.3532     0.8768     0.0000 
   H  16    2.6913     1.2399     0.8768     0.0000 
   H  17    3.2401     4.6147     5.4271     5.1887     0.0000 
   H  18    1.6200     4.4626     4.9591     4.3108     2.8059     0.0000 
   H  19    3.6739     3.7711     4.6468     4.6900     1.7321     3.9665 
   H  20    3.2380     2.7290     3.6055     3.7270     2.4522     3.9665 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    1.0738     0.0000 



ATOMIC CHARGES
   O   1   -0.4902976929
   N   2   -0.3539687779
   N   3   -0.2612002299
   C   4    0.1439265399
   C   5    0.0851572903
   C   6    0.0868660498
   C   7    0.0000205635
   C   8   -0.0306827304
   C   9    0.0517480335
   C  10    0.0311404142
   H  11    0.0693521398
   H  12    0.0693521398
   H  13    0.0669849333
   H  14    0.0262257937
   H  15    0.0262257937
   H  16    0.0262257937
   H  17    0.0849367888
   H  18    0.0830512624
   H  19    0.1424679473
   H  20    0.1424679473


BOND ANGLES
   4    1    6  Car   O3   C3    120.001
   5    2   19  Car  Npl   HC    120.002
   5    2   20  Car  Npl   HC    120.002
  19    2   20   HC  Npl   HC    119.997
   9    3   10  Car  Nar  Car    120.001
   1    4    5   O3  Car  Car    120.001
   1    4    7   O3  Car  Car    119.998
   5    4    7  Car  Car  Car    120.001
   2    5    4  Npl  Car  Car    120.001
   2    5    9  Npl  Car  Car    120.001
   4    5    9  Car  Car  Car    119.999
   1    6    8   O3   C3   C3    119.999
   1    6   11   O3   C3   HC    160.002
   1    6   12   O3   C3   HC     79.993
   8    6   11   C3   C3   HC     80.000
   8    6   12   C3   C3   HC    160.009
  11    6   12   HC   C3   HC     80.009
   4    7   10  Car  Car  Car    120.001
   4    7   13  Car  Car   HC    119.997
  10    7   13  Car  Car   HC    120.002
   6    8   14   C3   C3   HC     89.999
   6    8   15   C3   C3   HC    179.974
   6    8   16   C3   C3   HC     90.001
  14    8   15   HC   C3   HC     90.000
  14    8   16   HC   C3   HC    179.974
  15    8   16   HC   C3   HC     90.000
   3    9    5  Nar  Car  Car    120.001
   3    9   17  Nar  Car   HC    119.997
   5    9   17  Car  Car   HC    120.002
   3   10    7  Nar  Car  Car    119.999
   3   10   18  Nar  Car   HC    120.001
   7   10   18  Car  Car   HC    120.001


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