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2-(Diethylamino)-ethyl acrylate
2-(Diethylamino)-ethyl acrylate ID: API-45713
CAS:2426-54-2
Supplier:APIchem

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SMILES:O(CCN(CC)CC)C(=O)C=C	ChemMol.com
FORMULA: C9H17NO2
MASS: 171.2368
EXACT MASS: 171.1259288
INTERATOMIC DISTANCES

              O   1      O   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7321     0.0000 
   N   3    2.6458     3.6056     0.0000 
   C   4    1.7320     3.0000     1.0001     0.0000 
   C   5    3.4641     4.5826     1.0000     1.7321     0.0000 
   C   6    3.0000     3.4642     1.0000     1.7321     1.7320     0.0000 
   C   7    1.0000     2.0000     1.7321     1.0000     2.6458     2.0000 
   C   8    4.0000     4.3590     1.7320     2.6458     2.0000     1.0000 
   C   9    4.3589     5.2915     1.7320     2.6458     1.0000     2.0000 
   C  10    1.0001     1.0000     3.4642     2.6458     4.3590     3.6056 
   C  11    1.7321     1.7320     4.3590     3.4641     5.1962     4.5826 
   C  12    2.6458     2.0000     5.1962     4.3589     6.0828     5.2915 
   H  13    1.4156     2.9562     1.5968     0.6200     2.1829     2.3452 
   H  14    2.1828     3.5889     1.0813     0.6200     1.4157     2.0296 
   H  15    3.1671     3.3039     1.5967     2.1829     2.3451     0.6200 
   H  16    2.4267     2.8556     1.0812     1.4155     2.0295     0.6200 
   H  17    3.1021     4.3998     1.0812     1.4156     0.6201     2.0296 
   H  18    3.8917     5.1246     1.5967     2.1829     0.6200     2.3451 
   H  19    1.5967     2.1944     1.4156     1.0812     2.4060     1.4333 
   H  20    1.0812     1.4333     2.1829     1.5967     3.1512     2.1944 
   H  21    4.6402     5.7167     2.1114     2.9083     1.1766     2.5557 
   H  22    4.9339     5.7745     2.2900     3.2380     1.6199     2.3715 
   H  23    4.1517     4.9081     1.5200     2.5121     1.1766     1.4955 
   H  24    4.0478     4.6403     1.5200     2.5121     1.4956     1.1766 
   H  25    4.6200     4.9340     2.2900     3.2380     2.3716     1.6199 
   H  26    4.0477     4.1518     2.1114     2.9083     2.5558     1.1766 
   H  27    1.8397     2.2901     4.4727     3.5191     5.2331     4.8213 
   H  28    2.8292     1.7732     5.2331     4.4726     6.1648     5.2101 
   H  29    3.1408     2.6199     5.7415     4.8707     6.6018     5.8809 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0000     0.0000 
   C   9    3.4641     1.7320     0.0000 
   C  10    1.7321     4.5826     5.1962     0.0000 
   C  11    2.6458     5.5678     6.0828     1.0000     0.0000 
   C  12    3.4641     6.2450     6.9282     1.7320     1.0000     0.0000 
   H  13    1.0813     3.2657     3.1512     2.4060     3.1022     4.0507 
   H  14    1.5967     2.8114     2.4060     3.1512     3.8917     4.8281 
   H  15    2.1943     1.0813     2.5068     3.6167     4.6148     5.2293 
   H  16    1.4332     1.5968     2.5068     2.9899     3.9716     4.6716 
   H  17    2.4059     2.5069     1.5968     4.0507     4.8211     5.7469 
   H  18    3.1512     2.5069     1.0813     4.8282     5.6148     6.5339 
   H  19    0.6199     2.4267     3.1022     2.1829     3.1512     3.8917 
   H  20    0.6199     3.1671     3.8917     1.4156     2.4060     3.1022 
   H  21    3.8121     2.3520     0.6200     5.5323     6.3723     7.2581 
   H  22    4.0130     1.8396     0.6200     5.7415     6.6486     7.4715 
   H  23    3.1995     1.1121     0.6200     4.9156     5.8449     6.6399 
   H  24    3.0634     0.6200     1.1121     4.7391     5.6973     6.4446 
   H  25    3.6200     0.6200     1.8397     5.1928     6.1810     6.8428 
   H  26    3.0634     0.6200     2.3520     4.5068     5.5055     6.1022 
   H  27    2.8292     5.8194     6.1648     1.4158     0.6200     1.4158 
   H  28    3.5191     6.1257     6.9559     1.8396     1.4158     0.6200 
   H  29    4.0130     6.8428     7.4715     2.2900     1.4157     0.6200 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7970     0.0000 
   H  15    2.7657     2.5703     0.0000 
   H  16    1.9785     1.8728     0.7971     0.0000 
   H  17    1.7320     0.9350     2.6463     2.1561     0.0000 
   H  18    2.5291     1.7321     2.9532     2.6463     0.7971     0.0000 
   H  19    1.4515     1.6888     1.5763     0.8348     2.3121     2.9753 
   H  20    1.6888     2.2063     2.2153     1.5763     2.9752     3.6917 
   H  21    3.3355     2.5476     3.0941     3.0131     1.6344     0.8924 
   H  22    3.7599     3.0232     2.7883     2.9378     2.2128     1.6310 
   H  23    3.0828     2.4200     1.9400     2.0634     1.7880     1.5201 
   H  24    3.1165     2.5412     1.5201     1.7880     2.0636     1.9401 
   H  25    3.8564     3.3548     1.6309     2.2128     2.9379     2.7884 
   H  26    3.5194     3.1811     0.8924     1.6343     3.0132     3.0941 
   H  27    3.0690     3.8653     4.9257     4.2290     4.7998     5.5966 
   H  28    4.2428     4.9904     5.0762     4.5937     5.8839     6.6547 
   H  29    4.5177     5.3073     5.8364     5.2617     6.2361     7.0291 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7970     0.0000 
   H  21    3.5240     4.2935     0.0000 
   H  22    3.6063     4.4026     0.8768     0.0000 
   H  23    2.7563     3.5531     1.2399     0.8768     0.0000 
   H  24    2.5566     3.3424     1.7320     1.2732     0.4921     0.0000 
   H  25    3.0448     3.7773     2.4324     1.7320     1.2732     0.8768 
   H  26    2.4516     3.1077     2.9720     2.4323     1.7320     1.2399 
   H  27    3.3946     2.7170     6.3988     6.7523     5.9861     5.8871 
   H  28    3.8653     3.0690     7.3301     7.4715     6.6187     6.3814 
   H  29    4.4690     3.6870     7.7784     8.0260     7.2050     7.0254 

              H  25      H  26      H  27      H  28      H  29
              -------------------------------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    6.4384     5.8173     0.0000 
   H  28    6.7055     5.9241     1.9436     0.0000 
   H  29    7.4443     6.7127     1.6199     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.4602834355
   O   2   -0.2456445219
   N   3   -0.2996289072
   C   4    0.0331974128
   C   5   -0.0038368796
   C   6   -0.0038368796
   C   7    0.1054259542
   C   8   -0.0523576795
   C   9   -0.0523576795
   C  10    0.3314104116
   C  11    0.0154195568
   C  12   -0.0919410873
   H  13    0.0459821787
   H  14    0.0459821787
   H  15    0.0423802712
   H  16    0.0423802712
   H  17    0.0423802712
   H  18    0.0423802712
   H  19    0.0710366133
   H  20    0.0710366133
   H  21    0.0242002346
   H  22    0.0242002346
   H  23    0.0242002346
   H  24    0.0242002346
   H  25    0.0242002346
   H  26    0.0242002346
   H  27    0.0682829215
   H  28    0.0536953682
   H  29    0.0536953682


BOND ANGLES
   7    1   10   C3   O3   C2    120.001
   4    3    5   C3   N3   C3    120.001
   4    3    6   C3   N3   C3    119.998
   5    3    6   C3   N3   C3    120.001
   3    4    7   N3   C3   C3    120.001
   3    4   13   N3   C3   HC    159.993
   3    4   14   N3   C3   HC     80.003
   7    4   13   C3   C3   HC     80.006
   7    4   14   C3   C3   HC    159.996
  13    4   14   HC   C3   HC     79.990
   3    5    9   N3   C3   C3    119.999
   3    5   17   N3   C3   HC     79.999
   3    5   18   N3   C3   HC    159.996
   9    5   17   C3   C3   HC    160.003
   9    5   18   C3   C3   HC     80.006
  17    5   18   HC   C3   HC     79.997
   3    6    8   N3   C3   C3    120.001
   3    6   15   N3   C3   HC    159.996
   3    6   16   N3   C3   HC     79.997
   8    6   15   C3   C3   HC     80.004
   8    6   16   C3   C3   HC    160.002
  15    6   16   HC   C3   HC     79.999
   1    7    4   O3   C3   C3    119.999
   1    7   19   O3   C3   HC    160.002
   1    7   20   O3   C3   HC     80.000
   4    7   19   C3   C3   HC     80.000
   4    7   20   C3   C3   HC    160.002
  19    7   20   HC   C3   HC     80.002
   6    8   24   C3   C3   HC     90.001
   6    8   25   C3   C3   HC    179.974
   6    8   26   C3   C3   HC     89.999
  24    8   25   HC   C3   HC     90.000
  24    8   26   HC   C3   HC    179.974
  25    8   26   HC   C3   HC     90.000
   5    9   21   C3   C3   HC     90.001
   5    9   22   C3   C3   HC    179.974
   5    9   23   C3   C3   HC     89.999
  21    9   22   HC   C3   HC     90.000
  21    9   23   HC   C3   HC    179.974
  22    9   23   HC   C3   HC     90.000
   1   10    2   O3   C2   O2    119.998
   1   10   11   O3   C2   C2    120.001
   2   10   11   O2   C2   C2    120.001
  10   11   12   C2   C2   C2    119.999
  10   11   27   C2   C2   HC    120.001
  12   11   27   C2   C2   HC    120.001
  11   12   28   C2   C2   HC    120.001
  11   12   29   C2   C2   HC    119.998
  28   12   29   HC   C2   HC    120.002


TORSION ANGLES
  10    1    7    4    179.974
  10    1    7   19      0.026
  10    1    7   20      0.026
   7    1   10    2      0.026
   7    1   10   11    179.974
   5    3    4    7    179.974
   5    3    4   13      0.026
   5    3    4   14      0.026
   6    3    4    7      0.026
   6    3    4   13    179.974
   6    3    4   14    179.974
   4    3    5    9    179.974
   4    3    5   17      0.026
   4    3    5   18      0.026
   6    3    5    9      0.026
   6    3    5   17    179.974
   6    3    5   18    179.974
   4    3    6    8    179.974
   4    3    6   15      0.026
   4    3    6   16      0.026
   5    3    6    8      0.026
   5    3    6   15    179.974
   5    3    6   16    179.974
   3    4    7    1    179.974
   3    4    7   19      0.026
   3    4    7   20      0.026
  13    4    7    1      0.026
  13    4    7   19    179.974
  13    4    7   20    179.974
  14    4    7    1      0.026
  14    4    7   19    179.974
  14    4    7   20    179.974
   3    5    9   21    179.974
   3    5    9   22      0.026
   3    5    9   23      0.026
  17    5    9   21      0.026
  17    5    9   22    179.974
  17    5    9   23    179.974
  18    5    9   21      0.026
  18    5    9   22    179.974
  18    5    9   23    179.974
   3    6    8   24      0.026
   3    6    8   25    179.974
   3    6    8   26    179.974
  15    6    8   24    179.974
  15    6    8   25      0.026
  15    6    8   26      0.026
  16    6    8   24    179.974
  16    6    8   25      0.026
  16    6    8   26      0.026
   1   10   11   12    179.974
   1   10   11   27      0.026
   2   10   11   12      0.026
   2   10   11   27    179.974
  10   11   12   28      0.026
  10   11   12   29    179.974
  27   11   12   28    179.974
  27   11   12   29      0.026