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1,8-Diamino-3,6-dioxaoctane
1,8-Diamino-3,6-dioxaoctane ID: API-42856
CAS:929-59-9
Supplier:APIchem

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SMILES:O(CCOCCN)CCN	ChemMol.com
FORMULA: C6H16N2O2
MASS: 148.2034
EXACT MASS: 148.1211778
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.6458     0.0000 
   N   3    2.6458     5.1962     0.0000 
   N   4    5.1962     2.6458     7.8103     0.0000 
   C   5    1.0000     1.7321     3.4641     4.3590     0.0000 
   C   6    1.7321     1.0000     4.3590     3.4641     1.0001     0.0000 
   C   7    1.0000     3.4641     1.7321     6.0828     1.7320     2.6458 
   C   8    3.4641     1.0000     6.0828     1.7321     2.6458     1.7320 
   C   9    1.7320     4.3589     1.0001     6.9282     2.6457     3.4641 
   C  10    4.3589     1.7320     6.9282     1.0001     3.4641     2.6457 
   H  11    1.0812     2.1829     3.1022     4.8282     0.6199     1.5968 
   H  12    1.5968     1.4155     3.8918     4.0507     0.6200     1.0812 
   H  13    2.1829     1.0812     4.8282     3.1022     1.5968     0.6199 
   H  14    1.4155     1.5968     4.0507     3.8918     1.0812     0.6200 
   H  15    1.5967     3.8917     1.4156     6.5338     2.1828     3.1512 
   H  16    1.0812     3.1022     2.1829     5.7470     1.4155     2.4060 
   H  17    3.8917     1.5967     6.5338     1.4156     3.1512     2.1828 
   H  18    3.1022     1.0812     5.7470     2.1829     2.4060     1.4155 
   H  19    1.4155     4.0507     1.5968     6.5469     2.4059     3.1022 
   H  20    2.1829     4.8282     1.0812     7.3422     3.1512     3.8918 
   H  21    4.0507     1.4155     6.5469     1.5968     3.1022     2.4059 
   H  22    4.8282     2.1829     7.3422     1.0812     3.8918     3.1512 
   H  23    5.7415     3.1408     8.3334     0.6200     4.8708     4.0130 
   H  24    5.2331     2.8292     7.8744     0.6200     4.4727     3.5191 
   H  25    3.1408     5.7415     0.6200     8.3334     4.0130     4.8708 
   H  26    2.8292     5.2331     0.6200     7.8744     3.5191     4.4727 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.3589     0.0000 
   C   9    1.0000     5.1961     0.0000 
   C  10    5.1961     1.0000     6.0827     0.0000 
   H  11    1.4155     3.1512     2.4059     3.8917     0.0000 
   H  12    2.1829     2.4059     3.1512     3.1021     0.7971     0.0000 
   H  13    3.1512     1.4155     3.8917     2.4059     2.2063     1.6887 
   H  14    2.4059     2.1829     3.1021     3.1512     1.6887     1.4514 
   H  15    0.6199     4.8281     1.0812     5.6147     1.7320     2.5291 
   H  16    0.6199     4.0507     1.5967     4.8210     0.9350     1.7321 
   H  17    4.8281     0.6199     5.6147     1.0812     3.6917     2.9752 
   H  18    4.0507     0.6199     4.8210     1.5967     2.9752     2.3120 
   H  19    1.0812     4.8210     0.6199     5.7469     2.3120     2.9752 
   H  20    1.5968     5.6148     0.6200     6.5338     2.9752     3.6918 
   H  21    4.8210     1.0812     5.7469     0.6199     3.4641     2.6670 
   H  22    5.6148     1.5968     6.5338     0.6200     4.2612     3.4641 
   H  23    6.6018     2.2901     7.4715     1.4158     5.3074     4.5177 
   H  24    6.1648     1.8397     6.9559     1.4158     4.9904     4.2428 
   H  25    2.2901     6.6018     1.4158     7.4715     3.6870     4.4691 
   H  26    1.8397     6.1648     1.4158     6.9559     3.0690     3.8654 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    3.6917     2.9752     0.0000 
   H  16    2.9752     2.3120     0.7970     0.0000 
   H  17    1.7320     2.5291     5.3281     4.5664     0.0000 
   H  18    0.9350     1.7321     4.5664     3.8190     0.7970     0.0000 
   H  19    3.4641     2.6670     1.4514     1.6887     5.1961     4.3991 
   H  20    4.2612     3.4641     1.6888     2.2063     5.9932     5.1962 
   H  21    2.3120     2.9752     5.1961     4.3991     1.4514     1.6887 
   H  22    2.9752     3.6918     5.9932     5.1962     1.6888     2.2063 
   H  23    3.6870     4.4691     7.0291     6.2361     2.0285     2.7806 
   H  24    3.0690     3.8654     6.6546     5.8840     1.3415     2.1355 
   H  25    5.3074     4.5177     2.0285     2.7806     7.0291     6.2361 
   H  26    4.9904     4.2428     1.3415     2.1355     6.6546     5.8840 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    5.4611     6.2332     0.0000 
   H  22    6.2332     7.0108     0.7971     0.0000 
   H  23    7.1101     7.9028     1.9203     1.2045     0.0000 
   H  24    6.5313     7.3282     2.0354     1.6620     1.0739     0.0000 
   H  25    1.9203     1.2045     7.1101     7.9028     8.8689     8.3705 
   H  26    2.0354     1.6620     6.5313     7.3282     8.3705     7.9862 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.3762568935
   O   2   -0.3762568935
   N   3   -0.3278809128
   N   4   -0.3278809128
   C   5    0.0710557676
   C   6    0.0710557676
   C   7    0.0600258687
   C   8    0.0600258687
   C   9    0.0166376285
   C  10    0.0166376285
   H  11    0.0582595989
   H  12    0.0582595989
   H  13    0.0582595989
   H  14    0.0582595989
   H  15    0.0572290944
   H  16    0.0572290944
   H  17    0.0572290944
   H  18    0.0572290944
   H  19    0.0444311292
   H  20    0.0444311292
   H  21    0.0444311292
   H  22    0.0444311292
   H  23    0.1182894483
   H  24    0.1182894483
   H  25    0.1182894483
   H  26    0.1182894483


BOND ANGLES
   5    1    7   C3   O3   C3    119.999
   6    2    8   C3   O3   C3    119.999
   9    3   25   C3   N3   HC    120.000
   9    3   26   C3   N3   HC    119.998
  25    3   26   HC   N3   HC    120.002
  10    4   23   C3   N3   HC    120.000
  10    4   24   C3   N3   HC    119.998
  23    4   24   HC   N3   HC    120.002
   1    5    6   O3   C3   C3    120.001
   1    5   11   O3   C3   HC     80.000
   1    5   12   O3   C3   HC    160.009
   6    5   11   C3   C3   HC    159.999
   6    5   12   C3   C3   HC     79.990
  11    5   12   HC   C3   HC     80.009
   2    6    5   O3   C3   C3    120.001
   2    6   13   O3   C3   HC     80.000
   2    6   14   O3   C3   HC    160.009
   5    6   13   C3   C3   HC    159.999
   5    6   14   C3   C3   HC     79.990
  13    6   14   HC   C3   HC     80.009
   1    7    9   O3   C3   C3    119.999
   1    7   15   O3   C3   HC    160.002
   1    7   16   O3   C3   HC     80.000
   9    7   15   C3   C3   HC     80.000
   9    7   16   C3   C3   HC    160.002
  15    7   16   HC   C3   HC     80.002
   2    8   10   O3   C3   C3    119.999
   2    8   17   O3   C3   HC    160.002
   2    8   18   O3   C3   HC     80.000
  10    8   17   C3   C3   HC     80.000
  10    8   18   C3   C3   HC    160.002
  17    8   18   HC   C3   HC     80.002
   3    9    7   N3   C3   C3    120.001
   3    9   19   N3   C3   HC    159.999
   3    9   20   N3   C3   HC     79.990
   7    9   19   C3   C3   HC     80.000
   7    9   20   C3   C3   HC    160.009
  19    9   20   HC   C3   HC     80.009
   4   10    8   N3   C3   C3    120.001
   4   10   21   N3   C3   HC    159.999
   4   10   22   N3   C3   HC     79.990
   8   10   21   C3   C3   HC     80.000
   8   10   22   C3   C3   HC    160.009
  21   10   22   HC   C3   HC     80.009


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