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N,N-Dimethylaminobutane
N,N-Dimethylaminobutane ID: API-42832
CAS:927-62-8
Supplier:APIchem

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SMILES:N(CCCC)(C)C	ChemMol.com
FORMULA: C6H15N
MASS: 101.1900
EXACT MASS: 101.1204495
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.7321     0.0000 
   C   3    1.0000     1.0001     0.0000 
   C   4    2.6458     1.0000     1.7321     0.0000 
   C   5    3.4641     1.7320     2.6458     1.0000     0.0000 
   C   6    1.0000     2.6458     1.7320     3.4641     4.3589     0.0000 
   C   7    1.0000     2.0000     1.7320     3.0000     3.6055     1.7320 
   H   8    1.4156     0.6199     1.0812     1.5967     2.1828     2.4060 
   H   9    2.1829     0.6199     1.5968     1.0812     1.4155     3.1512 
   H  10    1.5968     1.0813     0.6201     1.4156     2.4059     2.1829 
   H  11    1.0813     1.5968     0.6200     2.1829     3.1512     1.4156 
   H  12    3.1512     1.5967     2.1829     0.6200     1.0813     3.8917 
   H  13    2.4060     1.0813     1.4157     0.6200     1.5967     3.1022 
   H  14    3.1995     1.5200     2.5121     1.1766     0.6200     4.1517 
   H  15    4.0131     2.2901     3.2380     1.6200     0.6201     4.9340 
   H  16    3.8121     2.1114     2.9083     1.1766     0.6200     4.6402 
   H  17    1.1766     2.5121     1.5200     3.1995     4.1517     0.6200 
   H  18    1.6199     3.2380     2.2900     4.0130     4.9339     0.6200 
   H  19    1.1766     2.9083     2.1114     3.8121     4.6402     0.6200 
   H  20    1.1766     2.5559     2.1114     3.5505     4.2047     1.5200 
   H  21    1.6200     2.3716     2.2901     3.3533     3.8242     2.2901 
   H  22    1.1766     1.4956     1.5200     2.4825     3.0148     2.1114 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    1.4333     0.0000 
   H   9    2.1944     0.7970     0.0000 
   H  10    2.3452     1.4515     1.6888     0.0000 
   H  11    2.0296     1.6889     2.2064     0.7971     0.0000 
   H  12    3.5889     2.2063     1.6888     1.7320     2.5291     0.0000 
   H  13    2.9562     1.6888     1.4515     0.9350     1.7321     0.7970 
   H  14    3.1879     1.8216     1.0254     2.4199     3.0828     1.5201 
   H  15    4.0602     2.6726     1.8778     3.0232     3.7600     1.6310 
   H  16    4.0750     2.6419     1.9300     2.5475     3.3355     0.8924 
   H  17    2.1114     2.4199     3.0828     1.8217     1.0254     3.5531 
   H  18    2.2900     3.0231     3.7599     2.6726     1.8777     4.4026 
   H  19    1.5200     2.5475     3.3355     2.6421     1.9300     4.2935 
   H  20    0.6200     2.0229     2.8003     2.7299     2.2546     4.1207 
   H  21    0.6200     1.7578     2.4188     2.8867     2.6368     3.9640 
   H  22    0.6200     0.8860     1.5993     2.0775     1.9809     3.0901 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.7880     0.0000 
   H  15    2.2128     0.8769     0.0000 
   H  16    1.6343     1.2399     0.8768     0.0000 
   H  17    2.7563     4.0301     4.7520     4.3589     0.0000 
   H  18    3.6063     4.7519     5.5188     5.1842     0.8768     0.0000 
   H  19    3.5240     4.3589     5.1843     4.9832     1.2399     0.8768 
   H  20    3.4425     3.8024     4.6723     4.6551     2.0379     1.9721 
   H  21    3.4018     3.3349     4.2101     4.3470     2.7145     2.8059 
   H  22    2.5290     2.5761     3.4508     3.5086     2.3520     2.7144 

              H  19      H  20      H  21      H  22
              --------------------------------------------
   H  19    0.0000 
   H  20    1.1121     0.0000 
   H  21    1.9721     0.8768     0.0000 
   H  22    2.0379     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.3083422429
   C   2   -0.0404716062
   C   3   -0.0016984587
   C   4   -0.0547542515
   C   5   -0.0652364124
   C   6   -0.0130504047
   C   7   -0.0130504047
   H   8    0.0277471810
   H   9    0.0277471810
   H  10    0.0426284707
   H  11    0.0426284707
   H  12    0.0263041552
   H  13    0.0263041552
   H  14    0.0229780141
   H  15    0.0229780141
   H  16    0.0229780141
   H  17    0.0390516875
   H  18    0.0390516875
   H  19    0.0390516875
   H  20    0.0390516875
   H  21    0.0390516875
   H  22    0.0390516875


BOND ANGLES
   3    1    6   C3   N3   C3    119.999
   3    1    7   C3   N3   C3    120.001
   6    1    7   C3   N3   C3    120.001
   3    2    4   C3   C3   C3    120.001
   3    2    8   C3   C3   HC     79.997
   3    2    9   C3   C3   HC    159.999
   4    2    8   C3   C3   HC    160.002
   4    2    9   C3   C3   HC     80.000
   8    2    9   HC   C3   HC     80.002
   1    3    2   N3   C3   C3    120.001
   1    3   10   N3   C3   HC    160.003
   1    3   11   N3   C3   HC     80.006
   2    3   10   C3   C3   HC     79.996
   2    3   11   C3   C3   HC    159.993
  10    3   11   HC   C3   HC     79.997
   2    4    5   C3   C3   C3    119.999
   2    4   12   C3   C3   HC    159.996
   2    4   13   C3   C3   HC     80.006
   5    4   12   C3   C3   HC     80.006
   5    4   13   C3   C3   HC    159.996
  12    4   13   HC   C3   HC     79.990
   4    5   14   C3   C3   HC     89.999
   4    5   15   C3   C3   HC    179.974
   4    5   16   C3   C3   HC     90.001
  14    5   15   HC   C3   HC     90.005
  14    5   16   HC   C3   HC    179.974
  15    5   16   HC   C3   HC     89.995
   1    6   17   N3   C3   HC     89.999
   1    6   18   N3   C3   HC    179.974
   1    6   19   N3   C3   HC     90.001
  17    6   18   HC   C3   HC     90.000
  17    6   19   HC   C3   HC    179.974
  18    6   19   HC   C3   HC     90.000
   1    7   20   N3   C3   HC     90.000
   1    7   21   N3   C3   HC    179.974
   1    7   22   N3   C3   HC     90.000
  20    7   21   HC   C3   HC     90.000
  20    7   22   HC   C3   HC    179.974
  21    7   22   HC   C3   HC     90.000


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