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[4-(2,4-Dichloro-phenoxy)-cyclohexyl]-methyl-amine 1HCl salt
[4-(2,4-Dichloro-phenoxy)-cyclohexyl]-methyl-amine 1HCl salt ID: B204094
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(c(cc(cc1)Cl)Cl)OC1CCC(NC)CC1	
FORMULA: C13H17Cl2NO
MASS: 274.1862
EXACT MASS: 273.0687195
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0378     0.5975     0.0000 
   O   4    0.6010     1.0398     1.5863     0.0000 
   C   5    0.5975     1.0378     1.2000     1.0375     0.0000 
   C   6    1.1985     1.0375     0.6010     1.7995     1.0398     0.0000 
  Cl   7    1.0398     0.6010     1.0375     1.2000     1.5863     1.5869 
   C   8    1.0375     1.1985     1.7960     0.5975     1.5829     2.1600 
   N   9    2.7435     2.6090     3.1084     2.3935     3.3320     3.6416 
   C  10    1.0375     1.1985     1.0398     1.5869     0.6010     0.6000 
  Cl  11    1.7960     1.5829     1.0375     2.3970     1.5863     0.5975 
   C  12    2.1600     2.0750     2.6090     1.7960     2.7435     3.1125 
   C  13    1.1985     1.0375     1.5829     1.0378     1.7960     2.0750 
   C  14    1.5869     1.7995     2.3970     1.0375     2.0750     2.7474 
   C  15    1.7995     1.5869     2.0750     1.5863     2.3970     2.6131 
   C  16    2.0750     2.1600     2.7435     1.5829     2.6090     3.1698 
   C  17    3.1698     3.1125     3.6416     2.7435     3.7391     4.1500 

             Cl   7      C   8      N   9      C  10     Cl  11      C  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   C   8    1.0378     0.0000 
   N   9    2.0709     1.7960     0.0000 
   C  10    1.7995     2.0750     3.7391     0.0000 
  Cl  11    2.0750     2.7435     4.1459     1.0378     0.0000 
   C  12    1.5829     1.1985     0.5975     3.1698     3.6416     0.0000 
   C  13    0.5975     0.6000     1.5829     2.1600     2.6090     1.0375 
   C  14    1.5863     0.6010     1.5836     2.6131     3.3358     1.0378 
   C  15    1.0375     1.0398     1.0334     2.7474     3.1125     0.5975 
   C  16    1.7960     1.0375     1.0378     3.1125     3.7391     0.6000 
   C  17    2.6090     2.1600     0.6010     4.1931     4.6763     1.0375 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    1.0398     0.0000 
   C  15    0.6010     1.2000     0.0000 
   C  16    1.1985     0.5975     1.0378     0.0000 
   C  17    2.0750     1.7960     1.5829     1.1985     0.0000 



ATOMIC CHARGES
   C   1    0.1488560116
   C   2    0.0923520149
   C   3    0.0258469238
   O   4   -0.4783203844
   C   5    0.0386369449
   C   6    0.0587120723
  Cl   7   -0.0790541690
   C   8    0.1660298218
   N   9   -0.2179424237
   C  10    0.0145612383
  Cl  11   -0.0822144118
   C  12    0.0730703660
   C  13    0.0449514163
   C  14    0.0449514163
   C  15    0.0210821460
   C  16    0.0210821460
   C  17    0.1073988707


BOND ANGLES
   2    1    4  Car  Car   O3    119.944
   2    1    5  Car  Car  Car    120.140
   4    1    5   O3  Car  Car    119.917
   1    2    3  Car  Car  Car    120.140
   1    2    7  Car  Car   Cl    119.944
   3    2    7  Car  Car   Cl    119.917
   2    3    6  Car  Car  Car    119.917
   1    4    8  Car   O3   C3    119.917
   1    5   10  Car  Car  Car    119.917
  10    6   11  Car  Car   Cl    120.140
   3    6   10  Car  Car  Car    119.944
   3    6   11  Car  Car   Cl    119.917
   4    8   13   O3   C3   C3    120.140
   4    8   14   O3   C3   C3    119.917
  13    8   14   C3   C3   C3    119.944
  12    9   17   C3   N3   C3    119.917
   5   10    6  Car  Car  Car    119.944
   9   12   16   N3   C3   C3    120.140
   9   12   15   N3   C3   C3    119.720
  15   12   16   C3   C3   C3    120.140
   8   13   15   C3   C3   C3    119.944
   8   14   16   C3   C3   C3    119.917
  12   15   13   C3   C3   C3    119.917
  12   16   14   C3   C3   C3    120.140


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


CHIRAL ATOMS
  13   15   12   16      0.026
  13   15   12   16      0.026