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1,11-Diamino-3,6,9-trioxaundecane
1,11-Diamino-3,6,9-trioxaundecane ID: API-42857
CAS:929-75-9
Supplier:APIchem

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SMILES:O(CCOCCN)CCOCCN	ChemMol.com
FORMULA: C8H20N2O3
MASS: 192.2560
EXACT MASS: 192.1473925
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.6458     0.0000 
   O   3    2.6458     5.1962     0.0000 
   N   4    5.1962     2.6458     7.8103     0.0000 
   N   5    5.1961     7.8102     2.6457    10.3923     0.0000 
   C   6    1.0000     1.7321     3.4641     4.3590     6.0827     0.0000 
   C   7    1.0000     3.4641     1.7321     6.0828     4.3589     1.7320 
   C   8    1.7321     1.0000     4.3590     3.4641     6.9282     1.0001 
   C   9    1.7320     4.3589     1.0001     6.9282     3.4641     2.6457 
   C  10    3.4641     1.0000     6.0828     1.7321     8.6602     2.6458 
   C  11    3.4641     6.0828     1.0000     8.6603     1.7320     4.3589 
   C  12    4.3589     1.7320     6.9282     1.0001     9.5393     3.4641 
   C  13    4.3589     6.9282     1.7320     9.5394     1.0000     5.1961 
   H  14    1.0813     2.1829     3.1022     4.8282     5.7469     0.6200 
   H  15    1.5968     1.4156     3.8918     4.0507     6.5339     0.6201 
   H  16    1.5967     3.8917     1.4157     6.5339     4.0507     2.1828 
   H  17    1.0813     3.1022     2.1829     5.7470     4.8281     1.4156 
   H  18    1.4155     4.0507     1.5968     6.5469     3.8917     2.4059 
   H  19    2.1829     4.8282     1.0812     7.3422     3.1021     3.1512 
   H  20    2.1829     1.0812     4.8282     3.1022     7.3421     1.5968 
   H  21    1.4155     1.5968     4.0507     3.8918     6.5468     1.0812 
   H  22    3.8917     1.5967     6.5338     1.4156     9.0711     3.1512 
   H  23    3.1022     1.0812     5.7470     2.1829     8.2753     2.4060 
   H  24    3.1022     5.7470     1.0812     8.2754     2.1828     4.0507 
   H  25    3.8917     6.5338     1.5967     9.0712     1.4155     4.8281 
   H  26    4.0507     1.4156     6.5470     1.5968     9.1796     3.1022 
   H  27    4.8282     2.1829     7.3422     1.0813     9.9726     3.8918 
   H  28    4.8281     7.3421     2.1828     9.9726     1.0813     5.6147 
   H  29    4.0507     6.5470     1.4156     9.1797     1.5967     4.8211 
   H  30    5.7415     8.3334     3.1408    10.9337     0.6201     6.6018 
   H  31    5.2330     7.8743     2.8291    10.4108     0.6200     6.1647 
   H  32    5.7415     3.1408     8.3334     0.6200    10.9336     4.8708 
   H  33    5.2331     2.8292     7.8744     0.6200    10.4108     4.4727 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6458     0.0000 
   C   9    1.0000     3.4641     0.0000 
   C  10    4.3589     1.7320     5.1961     0.0000 
   C  11    2.6458     5.1962     1.7321     6.9282     0.0000 
   C  12    5.1961     2.6457     6.0827     1.0000     7.8102     0.0000 
   C  13    3.4641     6.0828     2.6458     7.8102     1.0000     8.6602 
   H  14    1.4156     1.5968     2.4059     3.1512     4.0507     3.8917 
   H  15    2.1829     1.0813     3.1512     2.4059     4.8282     3.1021 
   H  16    0.6200     3.1512     1.0813     4.8281     2.4060     5.6147 
   H  17    0.6200     2.4060     1.5967     4.0507     3.1512     4.8211 
   H  18    1.0812     3.1022     0.6199     4.8210     2.1829     5.7469 
   H  19    1.5968     3.8918     0.6200     5.6148     1.4155     6.5338 
   H  20    3.1512     0.6199     3.8917     1.4155     5.6148     2.4059 
   H  21    2.4059     0.6200     3.1021     2.1829     4.8210     3.1512 
   H  22    4.8281     2.1828     5.6147     0.6199     7.3421     1.0812 
   H  23    4.0507     1.4155     4.8210     0.6199     6.5469     1.5967 
   H  24    2.4060     4.8211     1.4156     6.5469     0.6199     7.4597 
   H  25    3.1512     5.6148     2.1829     7.3421     0.6199     8.2505 
   H  26    4.8211     2.4059     5.7469     1.0813     7.4597     0.6200 
   H  27    5.6148     3.1512     6.5339     1.5968     8.2506     0.6201 
   H  28    3.8917     6.5339     3.1512     8.2505     1.5967     9.0711 
   H  29    3.1022     5.7470     2.4060     7.4597     1.0813     8.2753 
   H  30    4.8708     7.4716     4.0131     9.2024     2.2901    10.0650 
   H  31    4.4726     6.9559     3.5191     8.6824     1.8396     9.5918 
   H  32    6.6018     4.0130     7.4715     2.2901     9.2024     1.4158 
   H  33    6.1648     3.5191     6.9559     1.8397     8.6825     1.4158 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    4.8211     0.0000 
   H  15    5.6148     0.7971     0.0000 
   H  16    3.1022     1.7320     2.5291     0.0000 
   H  17    3.8917     0.9350     1.7321     0.7970     0.0000 
   H  18    3.1512     2.3121     2.9753     1.4515     1.6888     0.0000 
   H  19    2.4059     2.9753     3.6918     1.6889     2.2064     0.7971 
   H  20    6.5338     2.2064     1.6888     3.6917     2.9753     3.4641 
   H  21    5.7469     1.6888     1.4515     2.9752     2.3121     2.6670 
   H  22    8.2505     3.6917     2.9752     5.3282     4.5664     5.1961 
   H  23    7.4597     2.9753     2.3121     4.5664     3.8190     4.3991 
   H  24    1.5967     3.8190     4.5665     2.3122     2.9753     1.7321 
   H  25    1.0812     4.5664     5.3283     2.9753     3.6917     2.5291 
   H  26    8.2753     3.4641     2.6670     5.1961     4.3991     5.4611 
   H  27    9.0712     4.2612     3.4641     5.9932     5.1962     6.2332 
   H  28    0.6200     5.1961     5.9932     3.4641     4.2611     3.6917 
   H  29    0.6200     4.3991     5.1962     2.6671     3.4641     2.9753 
   H  30    1.4158     6.2362     7.0292     4.5178     5.3074     4.4691 
   H  31    1.4158     5.8839     6.6547     4.2428     4.9904     3.8653 
   H  32   10.0650     5.3074     4.5177     7.0291     6.2362     7.1101 
   H  33    9.5919     4.9905     4.2428     6.6547     5.8840     6.5313 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    4.2612     0.0000 
   H  21    3.4641     0.7971     0.0000 
   H  22    5.9932     1.7320     2.5291     0.0000 
   H  23    5.1962     0.9350     1.7321     0.7970     0.0000 
   H  24    0.9350     5.1962     4.3991     6.9282     6.1312     0.0000 
   H  25    1.7320     5.9932     5.1961     7.7252     6.9282     0.7970 
   H  26    6.2332     2.3121     2.9753     1.4515     1.6888     7.1458 
   H  27    7.0109     2.9753     3.6918     1.6889     2.2064     7.9280 
   H  28    2.9752     7.0108     6.2331     8.7127     7.9279     2.2063 
   H  29    2.3121     6.2332     5.4611     7.9279     7.1458     1.6888 
   H  30    3.6870     7.9028     7.1101     9.6277     8.8336     2.7806 
   H  31    3.0689     7.3281     6.5312     9.0599     8.2630     2.1354 
   H  32    7.9028     3.6870     4.4691     2.0285     2.7806     8.8336 
   H  33    7.3282     3.0690     3.8654     1.3415     2.1355     8.2631 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    7.9279     0.0000 
   H  27    8.7128     0.7971     0.0000 
   H  28    1.6888     8.6602     9.4573     0.0000 
   H  29    1.4515     7.8632     8.6603     0.7970     0.0000 
   H  30    2.0285     9.6876    10.4829     1.2047     1.9203     0.0000 
   H  31    1.3414     9.2660    10.0521     1.6621     2.0354     1.0739 
   H  32    9.6277     1.9203     1.2046    10.4828     9.6876    11.4662 
   H  33    9.0600     2.0355     1.6621    10.0521     9.2661    10.9688 

              H  31      H  32      H  33
              ---------------------------------
   H  31    0.0000 
   H  32   10.9687     0.0000 
   H  33   10.3923     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.3752411984
   O   2   -0.3762568909
   O   3   -0.3762568909
   N   4   -0.3278809128
   N   5   -0.3278809128
   C   6    0.0710996525
   C   7    0.0710996525
   C   8    0.0710563622
   C   9    0.0710563622
   C  10    0.0600258687
   C  11    0.0600258687
   C  12    0.0166376285
   C  13    0.0166376285
   H  14    0.0582601724
   H  15    0.0582601724
   H  16    0.0582601724
   H  17    0.0582601724
   H  18    0.0582596013
   H  19    0.0582596013
   H  20    0.0582596013
   H  21    0.0582596013
   H  22    0.0572290944
   H  23    0.0572290944
   H  24    0.0572290944
   H  25    0.0572290944
   H  26    0.0444311292
   H  27    0.0444311292
   H  28    0.0444311292
   H  29    0.0444311292
   H  30    0.1182894483
   H  31    0.1182894483
   H  32    0.1182894483
   H  33    0.1182894483


BOND ANGLES
   6    1    7   C3   O3   C3    119.999
   8    2   10   C3   O3   C3    119.999
   9    3   11   C3   O3   C3    120.001
  12    4   32   C3   N3   HC    120.000
  12    4   33   C3   N3   HC    119.998
  32    4   33   HC   N3   HC    120.002
  13    5   30   C3   N3   HC    120.002
  13    5   31   C3   N3   HC    120.001
  30    5   31   HC   N3   HC    119.997
   1    6    8   O3   C3   C3    120.001
   1    6   14   O3   C3   HC     80.006
   1    6   15   O3   C3   HC    160.003
   8    6   14   C3   C3   HC    159.993
   8    6   15   C3   C3   HC     79.996
  14    6   15   HC   C3   HC     79.997
   1    7    9   O3   C3   C3    119.999
   1    7   16   O3   C3   HC    159.996
   1    7   17   O3   C3   HC     80.006
   9    7   16   C3   C3   HC     80.006
   9    7   17   C3   C3   HC    159.996
  16    7   17   HC   C3   HC     79.990
   2    8    6   O3   C3   C3    120.001
   2    8   20   O3   C3   HC     80.000
   2    8   21   O3   C3   HC    160.009
   6    8   20   C3   C3   HC    159.999
   6    8   21   C3   C3   HC     79.990
  20    8   21   HC   C3   HC     80.009
   3    9    7   O3   C3   C3    120.001
   3    9   18   O3   C3   HC    159.999
   3    9   19   O3   C3   HC     79.990
   7    9   18   C3   C3   HC     80.000
   7    9   19   C3   C3   HC    160.009
  18    9   19   HC   C3   HC     80.009
   2   10   12   O3   C3   C3    119.999
   2   10   22   O3   C3   HC    160.002
   2   10   23   O3   C3   HC     80.000
  12   10   22   C3   C3   HC     80.000
  12   10   23   C3   C3   HC    160.002
  22   10   23   HC   C3   HC     80.002
   3   11   13   O3   C3   C3    119.999
   3   11   24   O3   C3   HC     80.000
   3   11   25   O3   C3   HC    160.002
  13   11   24   C3   C3   HC    160.002
  13   11   25   C3   C3   HC     80.000
  24   11   25   HC   C3   HC     80.002
   4   12   10   N3   C3   C3    120.001
   4   12   26   N3   C3   HC    159.993
   4   12   27   N3   C3   HC     79.996
  10   12   26   C3   C3   HC     80.006
  10   12   27   C3   C3   HC    160.003
  26   12   27   HC   C3   HC     79.997
   5   13   11   N3   C3   C3    119.999
   5   13   28   N3   C3   HC     80.006
   5   13   29   N3   C3   HC    159.996
  11   13   28   C3   C3   HC    159.996
  11   13   29   C3   C3   HC     80.006
  28   13   29   HC   C3   HC     79.990


TORSION ANGLES
   7    1    6    8    179.974
   7    1    6   14      0.026
   7    1    6   15      0.026
   6    1    7    9    179.974
   6    1    7   16      0.026
   6    1    7   17      0.026
  10    2    8    6    179.974
  10    2    8   20      0.026
  10    2    8   21      0.026
   8    2   10   12    179.974
   8    2   10   22      0.026
   8    2   10   23      0.026
  11    3    9    7    179.974
  11    3    9   18      0.026
  11    3    9   19      0.026
   9    3   11   13    179.974
   9    3   11   24      0.026
   9    3   11   25      0.026
  32    4   12   10    179.974
  32    4   12   26      0.026
  32    4   12   27      0.026
  33    4   12   10      0.026
  33    4   12   26    179.974
  33    4   12   27    179.974
  30    5   13   11    179.974
  30    5   13   28      0.026
  30    5   13   29      0.026
  31    5   13   11      0.026
  31    5   13   28    179.974
  31    5   13   29    179.974
   1    6    8    2    179.974
   1    6    8   20      0.026
   1    6    8   21      0.026
  14    6    8    2      0.026
  14    6    8   20    179.974
  14    6    8   21    179.974
  15    6    8    2      0.026
  15    6    8   20    179.974
  15    6    8   21    179.974
   1    7    9    3    179.974
   1    7    9   18      0.026
   1    7    9   19      0.026
  16    7    9    3      0.026
  16    7    9   18    179.974
  16    7    9   19    179.974
  17    7    9    3      0.026
  17    7    9   18    179.974
  17    7    9   19    179.974
   2   10   12    4    179.974
   2   10   12   26      0.026
   2   10   12   27      0.026
  22   10   12    4      0.026
  22   10   12   26    179.974
  22   10   12   27    179.974
  23   10   12    4      0.026
  23   10   12   26    179.974
  23   10   12   27    179.974
   3   11   13    5    179.974
   3   11   13   28      0.026
   3   11   13   29      0.026
  24   11   13    5      0.026
  24   11   13   28    179.974
  24   11   13   29    179.974
  25   11   13    5      0.026
  25   11   13   28    179.974
  25   11   13   29    179.974