Sign In Join Free

Products Information

2,4,6-Trimethoxy-1,3,5-triazine
2,4,6-Trimethoxy-1,3,5-triazine ID: API-42738
CAS:877-89-4
Supplier:APIchem

Get a quote


SMILES:O(c1nc(OC)nc(OC)n1)C	ChemMol.com
FORMULA: C6H9N3O3
MASS: 171.1540
EXACT MASS: 171.0643912
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      N   5      N   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.4641     0.0000 
   O   3    3.4641     3.4641     0.0000 
   N   4    1.7321     1.7320     3.0000     0.0000 
   N   5    1.7320     3.0000     1.7321     1.7321     0.0000 
   N   6    3.0000     1.7320     1.7320     1.7320     1.7321     0.0000 
   C   7    1.0000     2.6458     2.6458     1.0001     1.0000     2.0000 
   C   8    2.6458     1.0000     2.6457     1.0000     2.0000     1.0000 
   C   9    2.6458     2.6457     1.0000     2.0000     1.0001     1.0000 
   C  10    1.0000     4.3589     3.6056     2.6458     2.0000     3.6055 
   C  11    4.3590     1.0001     3.6056     2.6458     3.6056     2.0000 
   C  12    4.3589     3.6055     1.0000     3.6055     2.6458     2.0000 
   H  13    4.1517     3.0148     1.1766     3.1879     2.5121     1.4956 
   H  14    4.9340     3.8242     1.6199     4.0601     3.2380     2.3716 
   H  15    4.6403     4.2047     1.1766     4.0750     2.9083     2.5558 
   H  16    4.6403     1.1767     4.2047     2.9083     4.0751     2.5558 
   H  17    4.9340     1.6200     3.8242     3.2380     4.0602     2.3716 
   H  18    4.1518     1.1766     3.0148     2.5121     3.1880     1.4956 
   H  19    1.1766     4.1517     3.0148     2.5121     1.4955     3.1879 
   H  20    1.6199     4.9339     3.8242     3.2380     2.3715     4.0601 
   H  21    1.1766     4.6402     4.2047     2.9083     2.5557     4.0750 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.7321     1.7320     0.0000 
   C  10    1.7320     3.4641     3.0000     0.0000 
   C  11    3.4642     1.7321     3.0000     5.1962     0.0000 
   C  12    3.4641     3.0000     1.7320     4.5826     3.4641     0.0000 
   H  13    3.1995     2.4825     1.5200     4.5067     2.8442     0.6200 
   H  14    4.0130     3.3533     2.2900     5.1927     3.5192     0.6200 
   H  15    3.8121     3.5505     2.1114     4.7390     4.0841     0.6200 
   H  16    3.8122     2.1115     3.5505     5.5323     0.6200     4.0841 
   H  17    4.0131     2.2901     3.3533     5.7415     0.6200     3.5192 
   H  18    3.1996     1.5201     2.4825     4.9156     0.6200     2.8442 
   H  19    1.5200     3.1995     2.4825     0.6200     4.9156     4.0019 
   H  20    2.2900     4.0130     3.3533     0.6200     5.7415     4.8212 
   H  21    2.1114     3.8121     3.5505     0.6200     5.5323     5.1724 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2399     0.8768     0.0000 
   H  16    3.4641     4.1309     4.7041     0.0000 
   H  17    2.9109     3.4641     4.1309     0.8768     0.0000 
   H  18    2.2242     2.9110     3.4641     1.2399     0.8768     0.0000 
   H  19    3.9636     4.6167     4.1339     5.3060     5.4278     4.5762 
   H  20    4.8188     5.4399     4.9027     6.1022     6.2700     5.4278 
   H  21    5.0675     5.7778     5.3475     5.8162     6.1022     5.3060 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    1.2399     0.8768     0.0000 



ATOMIC CHARGES
   O   1   -0.4655389534
   O   2   -0.4655389534
   O   3   -0.4655389534
   N   4   -0.1411231807
   N   5   -0.1411231807
   N   6   -0.1411231807
   C   7    0.3264578064
   C   8    0.3264578064
   C   9    0.3264578064
   C  10    0.0819159519
   C  11    0.0819159519
   C  12    0.0819159519
   H  13    0.0660961253
   H  14    0.0660961253
   H  15    0.0660961253
   H  16    0.0660961253
   H  17    0.0660961253
   H  18    0.0660961253
   H  19    0.0660961253
   H  20    0.0660961253
   H  21    0.0660961253


BOND ANGLES
   7    1   10  Car   O3   C3    119.999
   8    2   11  Car   O3   C3    120.001
   9    3   12  Car   O3   C3    120.001
   7    4    8  Car  Nar  Car    120.001
   7    5    9  Car  Nar  Car    119.998
   8    6    9  Car  Nar  Car    120.001
   1    7    4   O3  Car  Nar    120.001
   1    7    5   O3  Car  Nar    120.001
   4    7    5  Nar  Car  Nar    119.998
   2    8    4   O3  Car  Nar    119.999
   2    8    6   O3  Car  Nar    120.001
   4    8    6  Nar  Car  Nar    120.001
   3    9    5   O3  Car  Nar    119.998
   3    9    6   O3  Car  Nar    120.001
   5    9    6  Nar  Car  Nar    120.001
   1   10   19   O3   C3   HC     89.999
   1   10   20   O3   C3   HC    179.974
   1   10   21   O3   C3   HC     90.001
  19   10   20   HC   C3   HC     90.000
  19   10   21   HC   C3   HC    179.974
  20   10   21   HC   C3   HC     90.000
   2   11   16   O3   C3   HC     90.004
   2   11   17   O3   C3   HC    179.974
   2   11   18   O3   C3   HC     89.996
  16   11   17   HC   C3   HC     90.000
  16   11   18   HC   C3   HC    179.974
  17   11   18   HC   C3   HC     90.000
   3   12   13   O3   C3   HC     90.001
   3   12   14   O3   C3   HC    179.974
   3   12   15   O3   C3   HC     89.999
  13   12   14   HC   C3   HC     90.000
  13   12   15   HC   C3   HC    179.974
  14   12   15   HC   C3   HC     90.000


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