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Endoxon
Endoxon ID: API-9500
CAS:6055-19-2
Supplier:APIchem

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SMILES:ClCCN(P1(=O)OCCCN1)CCCl.O	ChemMol.com
FORMULA: C7H17Cl2N2O3P
MASS: 279.1012
EXACT MASS: 278.0353844
INTERATOMIC DISTANCES

             Cl   1     Cl   2      P   3      O   4      O   5      O   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    3.4641     0.0000 
   P   3    3.4641     3.4641     0.0000 
   O   4    4.0576     4.4641     1.0000     0.0000 
   O   5    2.6458     3.6056     1.0000     1.4142     0.0000 
   O   6    6.1688     2.7224     5.5868     6.5228     6.0382     0.0000 
   N   7    2.6458     2.6458     1.0000     1.9318     1.0000     5.0385 
   N   8    4.0576     3.0880     1.0001     1.7321     1.9319     4.8339 
   C   9    5.0391     3.8730     1.7321     2.0000     2.7321     5.1822 
   C  10    5.4641     4.7884     2.0000     1.7320     2.9093     6.1799 
   C  11    5.0391     5.0391     1.7320     1.0000     2.3941     6.7850 
   C  12    1.7320     3.0000     1.7321     2.3942     1.0001     5.6244 
   C  13    3.0000     1.7321     1.7320     2.7320     2.0000     4.0388 
   C  14    1.0000     2.6457     2.6458     3.3859     2.0000     5.3672 
   C  15    2.6457     1.0000     2.6458     3.6327     2.6458     3.6723 
   H  16    5.6505     4.2715     2.3451     2.5068     3.3443     5.2797 
   H  17    5.0759     3.4760     2.0295     2.5068     3.0011     4.5884 
   H  18    5.9524     5.4082     2.5068     2.0295     3.3424     6.7524 
   H  19    5.9524     4.9463     2.5068     2.3451     3.4596     6.0637 
   H  20    3.9142     2.4990     1.4158     2.2901     2.1764     4.2383 
   H  21    5.0759     5.4591     2.0295     1.0812     2.4604     7.3319 
   H  22    5.6505     5.5842     2.3451     1.5967     3.0047     7.1939 
   H  23    1.4155     3.4977     2.1829     2.6595     1.2648     6.1696 
   H  24    2.1829     3.4977     1.4155     1.8747     0.4682     6.0407 
   H  25    3.4978     2.1829     1.4156     2.3814     1.9885     4.1734 
   H  26    3.4977     1.4156     2.1829     3.1664     2.5913     3.4556 
   H  27    1.5968     2.0782     2.4059     3.2675     1.9884     4.7884 
   H  28    1.0813     2.3874     3.1512     3.9516     2.5913     5.0876 
   H  29    2.3875     1.0812     3.1512     4.1138     2.9967     3.7833 
   H  30    2.0783     1.5967     2.4059     3.3448     2.1997     4.2907 
   H  31    5.8462     2.3840     5.0189     5.9400     5.5169     0.6201 
   H  32    6.7875     3.3365     6.0894     7.0025     6.5880     0.6200 

              N   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    1.4142     0.0000 
   C   9    2.3942     1.0000     0.0000 
   C  10    2.9093     1.7321     1.0001     0.0000 
   C  11    2.7320     2.0000     1.7321     1.0000     0.0000 
   C  12    1.0001     2.3942     3.3461     3.7321     3.3461     0.0000 
   C  13    1.0000     1.5059     2.4494     3.2348     3.3460     1.7321 
   C  14    1.7321     3.1197     4.1144     4.6252     4.3198     1.0000 
   C  15    1.7321     2.5036     3.4252     4.2342     4.3198     2.0000 
   H  16    3.0047     1.5967     0.6200     1.0813     2.0295     3.9641 
   H  17    2.4604     1.0812     0.6199     1.5968     2.3451     3.4558 
   H  18    3.4596     2.3451     1.5968     0.6199     1.0812     4.2258 
   H  19    3.3424     2.0295     1.0812     0.6200     1.5968     4.2258 
   H  20    1.3894     0.6200     1.4158     2.2901     2.6200     2.3797 
   H  21    3.0011     2.5069     2.3452     1.5968     0.6200     3.4558 
   H  22    3.3443     2.5069     2.0296     1.0813     0.6200     3.9641 
   H  23    1.5968     2.9527     3.8703     4.1578     3.6516     0.6199 
   H  24    1.0812     2.2716     3.1348     3.3672     2.8604     0.6200 
   H  25    1.0813     0.9207     1.8326     2.6506     2.8604     2.0296 
   H  26    1.5967     1.6768     2.4738     3.3736     3.6516     2.3451 
   H  27    1.4156     2.7017     3.7011     4.3112     4.1323     1.0812 
   H  28    2.1829     3.4983     4.4979     5.0908     4.8589     1.5967 
   H  29    2.1829     3.1019     4.0382     4.8271     4.8589     2.1943 
   H  30    1.4156     2.5055     3.4879     4.1911     4.1323     1.4332 
   H  31    4.5206     4.2382     4.5642     5.5612     6.1768     5.1656 
   H  32    5.5906     5.2910     5.5555     6.5437     7.2045     6.2109 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.0000     0.0000 
   C  15    1.0001     1.7320     0.0000 
   H  16    2.9786     4.7163     3.9245     0.0000 
   H  17    2.2584     4.1082     3.1679     0.7971     0.0000 
   H  18    3.8426     5.1520     4.8427     1.5278     2.1652     0.0000 
   H  19    3.5178     5.0740     4.5015     0.7846     1.5278     0.7971 
   H  20    1.0604     2.9307     2.0127     1.9203     1.2046     2.9097 
   H  21    3.7363     4.4531     4.6743     2.6463     2.9532     1.5278 
   H  22    3.9167     4.9396     4.9017     2.1562     2.6463     0.7847 
   H  23    2.3451     1.0812     2.5068     4.4903     4.0273     4.6061 
   H  24    2.0295     1.5968     2.5068     3.7525     3.3524     3.8092 
   H  25    0.6200     2.5069     1.5968     2.3590     1.6498     3.2653 
   H  26    0.6200     2.5068     1.0813     2.9151     2.1341     3.9932 
   H  27    1.4331     0.6201     1.1265     4.2833     3.6267     4.8720 
   H  28    2.1943     0.6200     1.6278     5.0802     4.4175     5.6413 
   H  29    1.5968     1.6279     0.6199     4.5434     3.7878     5.4304 
   H  30    1.0813     1.1266     0.6200     4.0410     3.3369     4.7776 
   H  31    3.5265     4.9931     3.2686     4.6602     3.9689     6.1326 
   H  32    4.5942     5.9791     4.2755     5.5941     4.9470     7.0963 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.4959     0.0000 
   H  21    2.1653     3.1205     0.0000 
   H  22    1.5279     3.1205     0.7971     0.0000 
   H  23    4.6876     2.9852     3.6625     4.2562     0.0000 
   H  24    3.9073     2.4182     2.9040     3.4689     0.7971     0.0000 
   H  25    2.9055     0.4455     3.3085     3.4014     2.6464     2.1562 
   H  26    3.5533     1.0836     4.1055     4.1808     2.9532     2.6462 
   H  27    4.7098     2.4275     4.3487     4.7489     1.4515     1.6888 
   H  28    5.5018     3.2152     5.0272     5.4785     1.6888     2.2064 
   H  29    5.1117     2.6288     5.1766     5.4527     2.5913     2.7727 
   H  30    4.5349     2.1341     4.4167     4.7373     1.9015     1.9884 
   H  31    5.4441     3.6508     6.7293     6.5787     5.7316     5.5482 
   H  32    6.3776     4.7125     7.7684     7.5820     6.7649     6.6102 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.7970     0.0000 
   H  27    1.9884     1.9014     0.0000 
   H  28    2.7728     2.5912     0.7971     0.0000 
   H  29    2.2064     1.6888     1.1417     1.3079     0.0000 
   H  30    1.6889     1.4515     0.5108     1.1417     0.7971     0.0000 
   H  31    3.6120     2.9256     4.3949     4.7712     3.4649     3.8876 
   H  32    4.6849     3.9973     5.3957     5.7064     4.4013     4.8951 

              H  31      H  32
              ----------------------
   H  31    0.0000 
   H  32    1.0739     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1240890668
  Cl   2   -0.1240890668
   P   3    0.3457901207
   O   4   -0.3052844718
   O   5   -0.2542443315
   O   6   -0.4104664878
   N   7   -0.2167268640
   N   8   -0.2324563719
   C   9    0.0074303372
   C  10   -0.0158830424
   C  11    0.0583828189
   C  12    0.0218772270
   C  13    0.0218772270
   C  14    0.0358448629
   C  15    0.0358448629
   H  16    0.0429797868
   H  17    0.0429797868
   H  18    0.0299858227
   H  19    0.0299858227
   H  20    0.1325923719
   H  21    0.0565270381
   H  22    0.0565270381
   H  23    0.0443180312
   H  24    0.0443180312
   H  25    0.0443180312
   H  26    0.0443180312
   H  27    0.0442189916
   H  28    0.0442189916
   H  29    0.0442189916
   H  30    0.0442189916
   H  31    0.2052332439
   H  32    0.2052332439


BOND ANGLES
   4    3    5   O3    P   O2     90.000
   4    3    7   O3    P   N3    150.001
   4    3    8   O3    P   N3    120.001
   5    3    7   O2    P   N3     60.001
   5    3    8   O2    P   N3    149.999
   7    3    8   N3    P   N3     89.997
   3    4   11    P   O3   C3    120.001
  31    6   32   HO   O3   HO    120.001
   3    7   12    P   N3   C3    120.001
   3    7   13    P   N3   C3    120.001
  12    7   13   C3   N3   C3    119.998
   3    8    9    P   N3   C3    119.998
   3    8   20    P   N3   HC    120.000
   9    8   20   C3   N3   HC    120.002
   8    9   10   N3   C3   C3    119.998
   8    9   16   N3   C3   HC    160.004
   8    9   17   N3   C3   HC     79.995
  10    9   16   C3   C3   HC     79.998
  10    9   17   C3   C3   HC    160.007
  16    9   17   HC   C3   HC     80.009
   9   10   11   C3   C3   C3    120.001
   9   10   18   C3   C3   HC    159.999
   9   10   19   C3   C3   HC     79.990
  11   10   18   C3   C3   HC     80.000
  11   10   19   C3   C3   HC    160.009
  18   10   19   HC   C3   HC     80.009
   4   11   10   O3   C3   C3    120.001
   4   11   21   O3   C3   HC     79.997
   4   11   22   O3   C3   HC    159.996
  10   11   21   C3   C3   HC    160.002
  10   11   22   C3   C3   HC     80.004
  21   11   22   HC   C3   HC     79.999
   7   12   14   N3   C3   C3    120.001
   7   12   23   N3   C3   HC    159.999
   7   12   24   N3   C3   HC     79.990
  14   12   23   C3   C3   HC     80.000
  14   12   24   C3   C3   HC    160.009
  23   12   24   HC   C3   HC     80.009
   7   13   15   N3   C3   C3    119.998
   7   13   25   N3   C3   HC     80.006
   7   13   26   N3   C3   HC    160.004
  15   13   25   C3   C3   HC    159.996
  15   13   26   C3   C3   HC     79.998
  25   13   26   HC   C3   HC     79.998
   1   14   12   Cl   C3   C3    119.999
   1   14   27   Cl   C3   HC    160.003
   1   14   28   Cl   C3   HC     80.006
  12   14   27   C3   C3   HC     79.999
  12   14   28   C3   C3   HC    159.996
  27   14   28   HC   C3   HC     79.997
   2   15   13   Cl   C3   C3    119.998
   2   15   29   Cl   C3   HC     79.995
   2   15   30   Cl   C3   HC    160.004
  13   15   29   C3   C3   HC    160.007
  13   15   30   C3   C3   HC     79.998
  29   15   30   HC   C3   HC     80.009


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