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Dimethylaminoacetonitrile
Dimethylaminoacetonitrile ID: API-42825
CAS:926-64-7
Supplier:APIchem

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SMILES:N(CC#N)(C)C	ChemMol.com
FORMULA: C4H8N2
MASS: 84.1197
EXACT MASS: 84.0687483
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.6458     0.0000 
   C   3    1.0000     2.0000     0.0000 
   C   4    1.0000     3.6055     1.7320     0.0000 
   C   5    1.0000     2.6458     1.7320     1.7320     0.0000 
   C   6    1.7321     1.0000     1.0001     2.6458     2.0000     0.0000 
   H   7    1.5968     1.9884     0.6201     2.1829     2.3452     1.0813 
   H   8    1.0813     2.5913     0.6200     1.4156     2.0296     1.5968 
   H   9    1.1766     3.5086     1.5200     0.6200     2.1114     2.5121 
   H  10    1.6199     4.2100     2.2900     0.6200     2.2900     3.2380 
   H  11    1.1766     3.8024     2.1114     0.6200     1.5200     2.9083 
   H  12    1.1766     3.2567     2.1114     1.5200     0.6200     2.5559 
   H  13    1.6200     2.8292     2.2901     2.2901     0.6200     2.3716 
   H  14    1.1766     2.0403     1.5200     2.1114     0.6200     1.4956 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.7971     0.0000 
   H   9    1.8217     1.0254     0.0000 
   H  10    2.6726     1.8777     0.8768     0.0000 
   H  11    2.6421     1.9300     1.2399     0.8768     0.0000 
   H  12    2.7299     2.2546     2.0379     1.9721     1.1121     0.0000 
   H  13    2.8867     2.6368     2.7145     2.8059     1.9721     0.8768 
   H  14    2.0775     1.9809     2.3520     2.7144     2.0379     1.2400 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.2960375857
   N   2   -0.1952122970
   C   3    0.0862958858
   C   4   -0.0121181806
   C   5   -0.0121181806
   C   6    0.0780339152
   H   7    0.0583370901
   H   8    0.0583370901
   H   9    0.0390803771
   H  10    0.0390803771
   H  11    0.0390803771
   H  12    0.0390803771
   H  13    0.0390803771
   H  14    0.0390803771


BOND ANGLES
   3    1    4   C3   N3   C3    119.999
   3    1    5   C3   N3   C3    120.001
   4    1    5   C3   N3   C3    120.001
   1    3    6   N3   C3   C1    120.001
   1    3    7   N3   C3   HC    160.003
   1    3    8   N3   C3   HC     80.006
   6    3    7   C1   C3   HC     79.996
   6    3    8   C1   C3   HC    159.993
   7    3    8   HC   C3   HC     79.997
   1    4    9   N3   C3   HC     89.999
   1    4   10   N3   C3   HC    179.974
   1    4   11   N3   C3   HC     90.001
   9    4   10   HC   C3   HC     90.000
   9    4   11   HC   C3   HC    179.974
  10    4   11   HC   C3   HC     90.000
   1    5   12   N3   C3   HC     90.000
   1    5   13   N3   C3   HC    179.974
   1    5   14   N3   C3   HC     90.000
  12    5   13   HC   C3   HC     90.000
  12    5   14   HC   C3   HC    179.974
  13    5   14   HC   C3   HC     90.000
   2    6    3   N1   C1   C3    179.974


TORSION ANGLES
   4    1    3    6    179.974
   4    1    3    7      0.026
   4    1    3    8      0.026
   5    1    3    6      0.026
   5    1    3    7    179.974
   5    1    3    8    179.974
   3    1    4    9      0.026
   3    1    4   10      0.026
   3    1    4   11    179.974
   5    1    4    9    179.974
   5    1    4   10    179.974
   5    1    4   11      0.026
   3    1    5   12    179.974
   3    1    5   13    180.000
   3    1    5   14      0.026
   4    1    5   12      0.026
   4    1    5   13    180.000
   4    1    5   14    179.974
   1    3    6    2      0.026
   7    3    6    2    179.974
   8    3    6    2    179.974