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Dimethylaminoethyl acrylate
Dimethylaminoethyl acrylate ID: API-45753
CAS:2439-35-2
Supplier:APIchem

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SMILES:O(CCN(C)C)C(=O)C=C	ChemMol.com
FORMULA: C7H13NO2
MASS: 143.1836
EXACT MASS: 143.0946287
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    1.0000     2.0000     1.7321     1.0000     0.0000 
   C   6    3.4641     4.5826     1.0000     1.7321     2.6458     0.0000 
   C   7    3.0000     3.4642     1.0000     1.7321     2.0000     1.7320 
   C   8    1.0001     1.0000     3.4642     2.6458     1.7321     4.3590 
   C   9    1.7321     1.7320     4.3590     3.4641     2.6458     5.1962 
   C  10    2.6458     2.0000     5.1962     4.3589     3.4641     6.0828 
   H  11    2.1829     3.5890     1.0813     0.6201     1.5968     1.4156 
   H  12    1.4156     2.9562     1.5968     0.6200     1.0813     2.1829 
   H  13    1.0812     1.4333     2.1829     1.5967     0.6199     3.1512 
   H  14    1.5967     2.1944     1.4156     1.0812     0.6199     2.4060 
   H  15    3.8121     4.7391     1.1766     2.1115     2.9083     0.6200 
   H  16    4.0130     5.1928     1.6199     2.2901     3.2380     0.6200 
   H  17    3.1995     4.5068     1.1766     1.5201     2.5121     0.6200 
   H  18    2.4825     2.8442     1.1766     1.5201     1.4956     2.1114 
   H  19    3.3533     3.5192     1.6200     2.2901     2.3716     2.2901 
   H  20    3.5505     4.0842     1.1766     2.1115     2.5559     1.5200 
   H  21    1.8397     2.2901     4.4727     3.5191     2.8292     5.2331 
   H  22    3.1408     2.6199     5.7415     4.8707     4.0130     6.6018 
   H  23    2.8292     1.7732     5.2331     4.4726     3.5191     6.1648 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.6056     0.0000 
   C   9    4.5826     1.0000     0.0000 
   C  10    5.2915     1.7320     1.0000     0.0000 
   H  11    2.0296     3.1513     3.8918     4.8282     0.0000 
   H  12    2.3452     2.4060     3.1022     4.0507     0.7971     0.0000 
   H  13    2.1944     1.4156     2.4060     3.1022     2.2064     1.6888 
   H  14    1.4333     2.1829     3.1512     3.8917     1.6889     1.4515 
   H  15    1.5200     4.6403     5.5323     6.3723     1.9300     2.6421 
   H  16    2.2900     4.9340     5.7415     6.6486     1.8777     2.6726 
   H  17    2.1114     4.1518     4.9156     5.8449     1.0254     1.8217 
   H  18    0.6200     3.0149     4.0019     4.6842     1.9809     2.0775 
   H  19    0.6200     3.8243     4.8213     5.4429     2.6368     2.8867 
   H  20    0.6200     4.2048     5.1725     5.9015     2.2546     2.7299 
   H  21    4.8213     1.4158     0.6200     1.4158     3.8654     3.0690 
   H  22    5.8809     2.2900     1.4157     0.6200     5.3074     4.5177 
   H  23    5.2101     1.8396     1.4158     0.6200     4.9905     4.2428 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7970     0.0000 
   H  15    3.3355     2.5475     0.0000 
   H  16    3.7599     3.0231     0.8768     0.0000 
   H  17    3.0828     2.4199     1.2399     0.8768     0.0000 
   H  18    1.5993     0.8860     2.0379     2.7144     2.3520     0.0000 
   H  19    2.4188     1.7578     1.9721     2.8059     2.7145     0.8768 
   H  20    2.8003     2.0229     1.1121     1.9721     2.0379     1.2400 
   H  21    2.7170     3.3946     5.6264     5.7415     4.8869     4.2732 
   H  22    3.6870     4.4690     6.9178     7.1535     6.3310     5.2782 
   H  23    3.0690     3.8653     6.3988     6.7523     5.9861     4.5920 

              H  19      H  20      H  21      H  22      H  23
              -------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    5.1243     5.3851     0.0000 
   H  22    6.0492     6.4868     1.6199     0.0000 
   H  23    5.2915     5.8286     1.9436     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.4602837199
   O   2   -0.2456445219
   N   3   -0.3051381978
   C   4    0.0326399615
   C   5    0.1054059280
   C   6   -0.0129292932
   C   7   -0.0129292932
   C   8    0.3314104106
   C   9    0.0154195568
   C  10   -0.0919410873
   H  11    0.0459622401
   H  12    0.0459622401
   H  13    0.0710363409
   H  14    0.0710363409
   H  15    0.0390532394
   H  16    0.0390532394
   H  17    0.0390532394
   H  18    0.0390532394
   H  19    0.0390532394
   H  20    0.0390532394
   H  21    0.0682829215
   H  22    0.0536953682
   H  23    0.0536953682


BOND ANGLES
   5    1    8   C3   O3   C2    120.001
   4    3    6   C3   N3   C3    120.001
   4    3    7   C3   N3   C3    119.998
   6    3    7   C3   N3   C3    120.001
   3    4    5   N3   C3   C3    120.001
   3    4   11   N3   C3   HC     79.996
   3    4   12   N3   C3   HC    159.993
   5    4   11   C3   C3   HC    160.003
   5    4   12   C3   C3   HC     80.006
  11    4   12   HC   C3   HC     79.997
   1    5    4   O3   C3   C3    119.999
   1    5   13   O3   C3   HC     80.000
   1    5   14   O3   C3   HC    160.002
   4    5   13   C3   C3   HC    160.002
   4    5   14   C3   C3   HC     80.000
  13    5   14   HC   C3   HC     80.002
   3    6   15   N3   C3   HC     90.001
   3    6   16   N3   C3   HC    179.974
   3    6   17   N3   C3   HC     89.999
  15    6   16   HC   C3   HC     90.000
  15    6   17   HC   C3   HC    179.974
  16    6   17   HC   C3   HC     90.000
   3    7   18   N3   C3   HC     90.000
   3    7   19   N3   C3   HC    179.974
   3    7   20   N3   C3   HC     90.000
  18    7   19   HC   C3   HC     90.000
  18    7   20   HC   C3   HC    179.974
  19    7   20   HC   C3   HC     90.000
   1    8    2   O3   C2   O2    119.998
   1    8    9   O3   C2   C2    120.001
   2    8    9   O2   C2   C2    120.001
   8    9   10   C2   C2   C2    119.999
   8    9   21   C2   C2   HC    120.001
  10    9   21   C2   C2   HC    120.001
   9   10   22   C2   C2   HC    119.998
   9   10   23   C2   C2   HC    120.001
  22   10   23   HC   C2   HC    120.002


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