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(6-ethyl-2-pyridyl)methanol
(6-ethyl-2-pyridyl)methanol ID: AN-11276
CAS:163658-33-1
Supplier:AN PharmaTech Co Ltd

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SMILES:OCc1nc(CC)ccc1	10749240
FORMULA: C8H11NO
MASS: 137.1790
EXACT MASS: 137.0840640
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.6458     0.0000 
   C   3    3.4641     1.0000     0.0000 
   C   4    4.3590     1.7321     1.0001     0.0000 
   C   5    1.7321     1.0000     1.7320     2.6458     0.0000 
   C   6    3.6055     1.7320     1.0000     1.7321     2.0000     0.0000 
   C   7    5.1962     2.6458     1.7321     1.0000     3.4641     2.0000 
   C   8    2.0000     1.7320     2.0000     3.0000     1.0000     1.7320 
   C   9    3.0000     2.0000     1.7320     2.6458     1.7320     1.0000 
   C  10    1.0001     1.7320     2.6457     3.4641     1.0000     2.9999 
   H  11    4.0507     1.4156     1.0813     0.6201     2.4059     2.0296 
   H  12    4.8282     2.1829     1.5968     0.6200     3.1512     2.3452 
   H  13    4.2101     2.2901     1.4158     1.8397     2.6200     0.6201 
   H  14    1.7732     2.2901     2.6200     3.6201     1.4158     2.2901 
   H  15    5.5323     2.9083     2.1115     1.1766     3.8121     2.5558 
   H  16    5.7415     3.2380     2.2901     1.6199     4.0130     2.3716 
   H  17    4.9156     2.5121     1.5201     1.1766     3.1995     1.4956 
   H  18    3.3533     2.6200     2.2901     3.1408     2.2901     1.4158 
   H  19    1.0813     2.1829     3.1512     3.8918     1.5968     3.5889 
   H  20    1.5968     1.4156     2.4059     3.1022     1.0813     2.9561 
   H  21    0.6200     3.1408     4.0130     4.8708     2.2901     4.2100 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.6055     0.0000 
   C   9    3.0000     1.0000     0.0000 
   C  10    4.3589     1.7320     2.6457     0.0000 
   H  11    1.5968     2.9561     2.8114     3.1021     0.0000 
   H  12    1.0813     3.5889     3.2657     3.8917     0.7971     0.0000 
   H  13    1.7732     2.2901     1.4158     3.6200     2.2861     2.3980 
   H  14    4.2101     0.6201     1.4158     1.8397     3.5651     4.2080 
   H  15    0.6200     4.0750     3.5505     4.6402     1.6344     0.8924 
   H  16    0.6200     4.0601     3.3533     4.9339     2.2128     1.6310 
   H  17    0.6200     3.1879     2.4825     4.1517     1.7880     1.5201 
   H  18    3.3533     1.4158     0.6200     3.1407     3.3701     3.7575 
   H  19    4.8282     2.3452     3.2657     0.6201     3.4641     4.2612 
   H  20    4.0507     2.0296     2.8114     0.6200     2.6670     3.4641 
   H  21    5.7415     2.6200     3.6200     1.4158     4.5177     5.3074 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.8060     0.0000 
   H  15    2.3825     4.6901     0.0000 
   H  16    2.0000     4.6469     0.8768     0.0000 
   H  17    1.1752     3.7712     1.2399     0.8768     0.0000 
   H  18    1.6200     1.6200     3.9391     3.6200     2.7824     0.0000 
   H  19    4.2080     2.3980     5.0577     5.4201     4.6702     3.7575 
   H  20    3.5651     2.2861     4.2642     4.6496     3.9245     3.3701 
   H  21    4.8185     2.3715     6.0474     6.3006     5.4888     3.9665 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    1.2046     1.9203     0.0000 



ATOMIC CHARGES
   O   1   -0.3889010490
   N   2   -0.2542082103
   C   3    0.0414220622
   C   4   -0.0132364237
   C   5    0.0668624797
   C   6   -0.0403794353
   C   7   -0.0598430974
   C   8   -0.0381095523
   C   9   -0.0582969535
   C  10    0.0861587004
   H  11    0.0325505695
   H  12    0.0325505695
   H  13    0.0635429949
   H  14    0.0636190087
   H  15    0.0233338784
   H  16    0.0233338784
   H  17    0.0233338784
   H  18    0.0618679362
   H  19    0.0622438968
   H  20    0.0622438968
   H  21    0.2099109718


BOND ANGLES
  10    1   21   C3   O3   HO    120.000
   3    2    5  Car  Nar  Car    119.999
   2    3    4  Nar  Car   C3    120.001
   2    3    6  Nar  Car  Car    120.001
   4    3    6   C3  Car  Car    119.998
   3    4    7  Car   C3   C3    120.001
   3    4   11  Car   C3   HC     79.996
   3    4   12  Car   C3   HC    159.993
   7    4   11   C3   C3   HC    160.003
   7    4   12   C3   C3   HC     80.006
  11    4   12   HC   C3   HC     79.997
   2    5    8  Nar  Car  Car    120.001
   2    5   10  Nar  Car   C3    119.999
   8    5   10  Car  Car   C3    120.001
   3    6    9  Car  Car  Car    120.001
   3    6   13  Car  Car   HC    119.997
   9    6   13  Car  Car   HC    120.002
   4    7   15   C3   C3   HC     90.001
   4    7   16   C3   C3   HC    179.974
   4    7   17   C3   C3   HC     89.999
  15    7   16   HC   C3   HC     90.000
  15    7   17   HC   C3   HC    179.974
  16    7   17   HC   C3   HC     90.000
   5    8    9  Car  Car  Car    120.001
   5    8   14  Car  Car   HC    119.997
   9    8   14  Car  Car   HC    120.002
   6    9    8  Car  Car  Car    119.999
   6    9   18  Car  Car   HC    120.001
   8    9   18  Car  Car   HC    120.001
   1   10    5   O3   C3  Car    120.001
   1   10   19   O3   C3   HC     79.996
   1   10   20   O3   C3   HC    159.993
   5   10   19  Car   C3   HC    160.003
   5   10   20  Car   C3   HC     80.006
  19   10   20   HC   C3   HC     79.997


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