Sign In Join Free

Products Information

Dimethyl-N-propylamine
Dimethyl-N-propylamine ID: API-42824
CAS:926-63-6
Supplier:APIchem

Get a quote


SMILES:N(CCC)(C)C	ChemMol.com
FORMULA: C5H13N
MASS: 87.1634
EXACT MASS: 87.1047994
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.7321     1.0001     0.0000 
   C   4    2.6458     1.7321     1.0000     0.0000 
   C   5    1.0000     1.7320     2.6458     3.4641     0.0000 
   C   6    1.0000     1.7320     2.0000     3.0000     1.7320     0.0000 
   H   7    1.5968     0.6201     1.0813     1.4156     2.1829     2.3452 
   H   8    1.0813     0.6200     1.5968     2.1829     1.4156     2.0296 
   H   9    1.4156     1.0812     0.6199     1.5967     2.4060     1.4333 
   H  10    2.1829     1.5968     0.6199     1.0812     3.1512     2.1944 
   H  11    2.9083     2.1115     1.1766     0.6200     3.8121     3.0634 
   H  12    3.2380     2.2901     1.6199     0.6200     4.0130     3.6200 
   H  13    2.5121     1.5201     1.1766     0.6200     3.1995     3.0634 
   H  14    1.1766     2.1114     2.5559     3.5505     1.5200     0.6200 
   H  15    1.6200     2.2901     2.3716     3.3533     2.2901     0.6200 
   H  16    1.1766     1.5200     1.4956     2.4825     2.1114     0.6200 
   H  17    1.1766     1.5200     2.5121     3.1995     0.6200     2.1114 
   H  18    1.6199     2.2900     3.2380     4.0130     0.6200     2.2900 
   H  19    1.1766     2.1114     2.9083     3.8121     0.6200     1.5200 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.7971     0.0000 
   H   9    1.4515     1.6889     0.0000 
   H  10    1.6888     2.2064     0.7970     0.0000 
   H  11    1.9300     2.6421     1.6343     0.8924     0.0000 
   H  12    1.8777     2.6726     2.2127     1.6309     0.8768     0.0000 
   H  13    1.0254     1.8217     1.7879     1.5200     1.2399     0.8768 
   H  14    2.7299     2.2546     2.0229     2.8003     3.6572     4.1685 
   H  15    2.8867     2.6368     1.7578     2.4188     3.3111     3.9665 
   H  16    2.0775     1.9809     0.8860     1.5993     2.4825     3.0986 
   H  17    1.8217     1.0254     2.4199     3.0828     3.6267     3.6980 
   H  18    2.6726     1.8777     3.0231     3.7599     4.3934     4.5379 
   H  19    2.6421     1.9300     2.5475     3.3355     4.0841     4.3934 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.5505     0.0000 
   H  15    3.5064     0.8768     0.0000 
   H  16    2.6328     1.2400     0.8768     0.0000 
   H  17    2.8441     2.0379     2.7145     2.3520     0.0000 
   H  18    3.6980     1.9721     2.8059     2.7144     0.8768     0.0000 
   H  19    3.6267     1.1121     1.9721     2.0379     1.2399     0.8768 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   N   1   -0.3083508880
   C   2   -0.0019392887
   C   3   -0.0430724377
   C   4   -0.0641182133
   C   5   -0.0130505310
   C   6   -0.0130505310
   H   7    0.0426199565
   H   8    0.0426199565
   H   9    0.0274906495
   H  10    0.0274906495
   H  11    0.0230168519
   H  12    0.0230168519
   H  13    0.0230168519
   H  14    0.0390516870
   H  15    0.0390516870
   H  16    0.0390516870
   H  17    0.0390516870
   H  18    0.0390516870
   H  19    0.0390516870


BOND ANGLES
   2    1    5   C3   N3   C3    119.999
   2    1    6   C3   N3   C3    120.001
   5    1    6   C3   N3   C3    120.001
   1    2    3   N3   C3   C3    120.001
   1    2    7   N3   C3   HC    160.003
   1    2    8   N3   C3   HC     80.006
   3    2    7   C3   C3   HC     79.996
   3    2    8   C3   C3   HC    159.993
   7    2    8   HC   C3   HC     79.997
   2    3    4   C3   C3   C3    120.001
   2    3    9   C3   C3   HC     79.997
   2    3   10   C3   C3   HC    159.999
   4    3    9   C3   C3   HC    160.002
   4    3   10   C3   C3   HC     80.000
   9    3   10   HC   C3   HC     80.002
   3    4   11   C3   C3   HC     90.001
   3    4   12   C3   C3   HC    179.974
   3    4   13   C3   C3   HC     89.999
  11    4   12   HC   C3   HC     90.000
  11    4   13   HC   C3   HC    179.974
  12    4   13   HC   C3   HC     90.000
   1    5   17   N3   C3   HC     89.999
   1    5   18   N3   C3   HC    179.974
   1    5   19   N3   C3   HC     90.001
  17    5   18   HC   C3   HC     90.000
  17    5   19   HC   C3   HC    179.974
  18    5   19   HC   C3   HC     90.000
   1    6   14   N3   C3   HC     90.000
   1    6   15   N3   C3   HC    179.974
   1    6   16   N3   C3   HC     90.000
  14    6   15   HC   C3   HC     90.000
  14    6   16   HC   C3   HC    179.974
  15    6   16   HC   C3   HC     90.000


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