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4-(morpholinomethyl)morpholine
4-(morpholinomethyl)morpholine ID: AN-6830
CAS:5625-90-1
Supplier:AN PharmaTech Co Ltd

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SMILES:O1CCN(CN2CCOCC2)CC1	21839
FORMULA: C9H18N2O2
MASS: 186.2514
EXACT MASS: 186.1368278
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    5.1962     0.0000 
   N   3    2.0000     3.6056     0.0000 
   N   4    3.6056     2.0000     1.7321     0.0000 
   C   5    3.0000     3.0000     1.0000     1.0001     0.0000 
   C   6    4.5826     1.7320     2.6458     1.0000     1.7321     0.0000 
   C   7    1.7320     4.5826     1.0000     2.6458     1.7320     3.4641 
   C   8    3.4641     1.7320     2.0000     1.0000     1.7321     1.7320 
   C   9    1.7321     3.4641     1.0001     2.0000     1.7321     3.0000 
   C  10    1.0000     5.2915     1.7320     3.4641     2.6457     4.3589 
   C  11    5.2915     1.0000     3.4641     1.7320     2.6458     1.0000 
   C  12    1.0001     4.3589     1.7321     3.0000     2.6458     4.0000 
   C  13    4.3589     1.0000     3.0000     1.7320     2.6458     2.0000 
   H  14    3.5889     2.9561     1.5967     1.0813     0.6200     1.4156 
   H  15    2.9561     3.5889     1.0812     1.5969     0.6200     2.1830 
   H  16    5.1245     2.0295     3.1512     1.5967     2.1829     0.6200 
   H  17    4.3997     2.3451     2.4059     1.0812     1.4155     0.6200 
   H  18    2.3451     4.3998     1.0813     2.4060     1.4156     3.1022 
   H  19    2.0295     5.1245     1.5968     3.1513     2.1829     3.8918 
   H  20    2.8556     2.3451     1.4332     1.0812     1.4155     2.0295 
   H  21    3.3039     2.0295     2.1944     1.5967     2.1829     2.3450 
   H  22    2.0295     3.3039     1.5968     2.1943     2.1829     3.1671 
   H  23    2.3451     2.8556     1.0813     1.4332     1.4156     2.4267 
   H  24    1.5968     5.6350     2.0295     3.7220     2.8113     4.5429 
   H  25    1.0813     5.8749     2.3451     4.0761     3.2657     4.9780 
   H  26    5.8750     1.0813     4.0762     2.3451     3.2657     1.5967 
   H  27    5.6351     1.5968     3.7221     2.0296     2.8114     1.0812 
   H  28    1.0813     4.8281     2.3451     3.5889     3.2657     4.5875 
   H  29    1.5968     4.0506     2.0295     2.9560     2.8113     3.9399 
   H  30    4.0507     1.5967     2.9561     2.0294     2.8113     2.5067 
   H  31    4.8282     1.0812     3.5889     2.3451     3.2657     2.5068 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0000     0.0000 
   C   9    1.7321     1.7320     0.0000 
   C  10    1.0000     3.6056     2.0000     0.0000 
   C  11    4.3589     2.0000     3.6055     5.1962     0.0000 
   C  12    2.0000     2.6457     1.0000     1.7321     4.5826     0.0000 
   C  13    4.0000     1.0000     2.6457     4.5826     1.7320     3.4641 
   H  14    2.1829     2.0295     2.3451     3.1512     2.4059     3.2657 
   H  15    1.4155     2.3452     2.0296     2.4059     3.1513     2.8114 
   H  16    3.8917     2.3451     3.5889     4.8281     1.0813     4.5875 
   H  17    3.1021     2.0295     2.9561     4.0506     1.5968     3.9399 
   H  18    0.6200     2.9562     2.0296     1.5967     4.0507     2.5069 
   H  19    0.6200     3.5889     2.3452     1.0812     4.8282     2.5069 
   H  20    2.4267     0.6200     1.1266     2.9898     2.5068     2.0783 
   H  21    3.1671     0.6199     1.6278     3.6167     2.5068     2.3875 
   H  22    2.3451     1.6279     0.6199     2.5068     3.6167     1.0812 
   H  23    2.0295     1.1266     0.6200     2.5068     2.9898     1.5967 
   H  24    1.0812     4.0024     2.5069     0.6200     5.4395     2.3452 
   H  25    1.5967     4.1713     2.5069     0.6200     5.8078     2.0296 
   H  26    4.9780     2.5069     4.1713     5.8078     0.6200     5.1332 
   H  27    4.5430     2.5069     4.0024     5.4395     0.6201     4.9969 
   H  28    2.5068     3.1512     1.5967     2.0295     5.1245     0.6200 
   H  29    2.5068     2.4059     1.0812     2.3451     4.3997     0.6199 
   H  30    3.9399     1.0812     2.4059     4.3997     2.3451     3.1021 
   H  31    4.5875     1.5968     3.1512     5.1245     2.0295     3.8917 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    2.8113     0.0000 
   H  15    3.2657     0.7971     0.0000 
   H  16    2.5068     1.7320     2.5292     0.0000 
   H  17    2.5068     0.9350     1.7321     0.7971     0.0000 
   H  18    3.9400     1.7321     0.9350     3.4641     2.6671     0.0000 
   H  19    4.5875     2.5292     1.7320     4.2612     3.4641     0.7971 
   H  20    1.5968     1.8727     1.9785     2.6462     2.1560     2.4519 
   H  21    1.0812     2.5702     2.7657     2.9532     2.6462     3.2391 
   H  22    2.3875     2.7656     2.5703     3.7809     3.2390     2.6463 
   H  23    2.0783     1.9785     1.8728     3.0298     2.4518     2.1562 
   H  24    4.9969     3.2325     2.4432     4.9562     4.1621     1.5278 
   H  25    5.1332     3.7661     3.0114     5.4479     4.6694     2.1652 
   H  26    2.0296     3.0115     3.7662     1.5278     2.1652     4.6695 
   H  27    2.3452     2.4433     3.2326     0.7847     1.5278     4.1622 
   H  28    3.8917     3.8856     3.4208     5.1826     4.5499     3.0557 
   H  29    3.1021     3.4207     3.0945     4.5499     3.9767     2.9499 
   H  30    0.6200     3.0944     3.4208     3.0556     2.9498     3.9768 
   H  31    0.6200     3.4208     3.8857     2.9499     3.0556     4.5500 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.0298     0.0000 
   H  21    3.7809     0.7971     0.0000 
   H  22    2.9532     1.1418     1.3080     0.0000 
   H  23    2.6463     0.5109     1.1417     0.7971     0.0000 
   H  24    0.7846     3.4019     4.0851     3.0556     2.9499     0.0000 
   H  25    1.5278     3.5519     4.1347     2.9499     3.0557     0.7971 
   H  26    5.4480     3.0557     2.9499     4.1347     3.5519     6.0583 
   H  27    4.9563     2.9499     3.0557     4.0852     3.4020     5.6203 
   H  28    2.9499     2.6202     2.8121     1.5278     2.1652     2.6463 
   H  29    3.0556     1.9227     2.0259     0.7846     1.5278     2.9532 
   H  30    4.5499     1.5278     0.7846     2.0259     1.9227     4.8693 
   H  31    5.1827     2.1653     1.5278     2.8121     2.6202     5.5635 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    6.4174     0.0000 
   H  27    6.0583     0.7971     0.0000 
   H  28    2.1562     5.6564     5.5635     0.0000 
   H  29    2.6463     4.9110     4.8694     0.7971     0.0000 
   H  30    4.9110     2.6463     2.9532     3.4641     2.6670     0.0000 
   H  31    5.6564     2.1562     2.6464     4.2612     3.4641     0.7971 

              H  31
              -----------
   H  31    0.0000 



ATOMIC CHARGES
   O   1   -0.3772414145
   O   2   -0.3772414145
   N   3   -0.2852403036
   N   4   -0.2852403036
   C   5    0.0522016067
   C   6    0.0236033188
   C   7    0.0236033188
   C   8    0.0236033188
   C   9    0.0236033188
   C  10    0.0604668963
   C  11    0.0604668963
   C  12    0.0604668963
   C  13    0.0604668963
   H  14    0.0595000781
   H  15    0.0595000781
   H  16    0.0449413838
   H  17    0.0449413838
   H  18    0.0449413838
   H  19    0.0449413838
   H  20    0.0449413838
   H  21    0.0449413838
   H  22    0.0449413838
   H  23    0.0449413838
   H  24    0.0572437179
   H  25    0.0572437179
   H  26    0.0572437179
   H  27    0.0572437179
   H  28    0.0572437179
   H  29    0.0572437179
   H  30    0.0572437179
   H  31    0.0572437179


BOND ANGLES
  10    1   12   C3   O3   C3    120.001
  11    2   13   C3   O3   C3    120.001
   5    3    7   C3   N3   C3    120.001
   5    3    9   C3   N3   C3    119.998
   7    3    9   C3   N3   C3    120.001
   5    4    6   C3   N3   C3    119.998
   5    4    8   C3   N3   C3    120.001
   6    4    8   C3   N3   C3    120.001
   3    5    4   N3   C3   N3    119.998
   3    5   14   N3   C3   HC    160.004
   3    5   15   N3   C3   HC     79.997
   4    5   14   N3   C3   HC     79.998
   4    5   15   N3   C3   HC    160.005
  14    5   15   HC   C3   HC     80.007
   4    6   11   N3   C3   C3    120.001
   4    6   16   N3   C3   HC    159.996
   4    6   17   N3   C3   HC     79.997
  11    6   16   C3   C3   HC     80.004
  11    6   17   C3   C3   HC    160.002
  16    6   17   HC   C3   HC     79.999
   3    7   10   N3   C3   C3    120.001
   3    7   18   N3   C3   HC     80.004
   3    7   19   N3   C3   HC    160.002
  10    7   18   C3   C3   HC    159.996
  10    7   19   C3   C3   HC     79.997
  18    7   19   HC   C3   HC     79.999
   4    8   13   N3   C3   C3    119.999
   4    8   20   N3   C3   HC     79.993
   4    8   21   N3   C3   HC    160.002
  13    8   20   C3   C3   HC    160.009
  13    8   21   C3   C3   HC     80.000
  20    8   21   HC   C3   HC     80.009
   3    9   12   N3   C3   C3    119.998
   3    9   22   N3   C3   HC    160.007
   3    9   23   N3   C3   HC     79.998
  12    9   22   C3   C3   HC     79.995
  12    9   23   C3   C3   HC    160.004
  22    9   23   HC   C3   HC     80.009
   1   10    7   O3   C3   C3    120.001
   1   10   24   O3   C3   HC    160.002
   1   10   25   O3   C3   HC     80.004
   7   10   24   C3   C3   HC     79.997
   7   10   25   C3   C3   HC    159.996
  24   10   25   HC   C3   HC     79.999
   2   11    6   O3   C3   C3    119.999
   2   11   26   O3   C3   HC     80.006
   2   11   27   O3   C3   HC    160.003
   6   11   26   C3   C3   HC    159.996
   6   11   27   C3   C3   HC     79.999
  26   11   27   HC   C3   HC     79.997
   1   12    9   O3   C3   C3    119.998
   1   12   28   O3   C3   HC     79.998
   1   12   29   O3   C3   HC    160.007
   9   12   28   C3   C3   HC    160.004
   9   12   29   C3   C3   HC     79.995
  28   12   29   HC   C3   HC     80.009
   2   13    8   O3   C3   C3    120.001
   2   13   30   O3   C3   HC    160.004
   2   13   31   O3   C3   HC     79.997
   8   13   30   C3   C3   HC     79.995
   8   13   31   C3   C3   HC    160.002
  30   13   31   HC   C3   HC     80.007


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