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[4-(3-Chloro-phenoxy)-cyclohexyl]-cyclopropylmethyl-amine 1HCl salt
[4-(3-Chloro-phenoxy)-cyclohexyl]-cyclopropylmethyl-amine 1HCl salt ID: B204095
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1(CC1)CNC1CCC(Oc2cc(Cl)ccc2)CC1	
FORMULA: C16H22ClNO
MASS: 279.8050
EXACT MASS: 279.1389920
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6011     0.0000 
   C   3    0.6011     0.6000     0.0000 
   C   4    3.6416     3.3365     3.9354     0.0000 
   C   5    3.1125     2.8603     3.4520     0.5975     0.0000 
   N   6    1.0362     1.4338     1.6373     3.3305     2.7421     0.0000 
   O   7    2.6090     2.3023     2.9001     1.0375     0.6010     2.3914 
   C   8    0.6000     1.1604     1.1604     3.7391     3.1698     0.5989 
   C   9    4.1500     3.8851     4.4804     0.6010     1.0375     3.7381 
   C  10    1.1985     1.3418     1.7451     2.7435     2.1600     0.5954 
   C  11    2.0750     1.8499     2.4315     1.5829     1.0375     1.7939 
  Cl  12    4.6763     4.3723     4.9716     1.0375     1.5829     4.3149 
   C  13    1.7960     1.8953     2.3360     2.3970     1.7995     1.0334 
   C  14    1.0375     0.9029     1.4354     2.6090     2.0750     1.0341 
   C  15    2.1600     2.0993     2.6262     1.7960     1.1985     1.5821 
   C  16    1.5829     1.2735     1.8673     2.0750     1.5869     1.5805 
   C  17    3.7391     3.6197     4.1782     1.2000     1.0378     3.1084 
   C  18    3.1698     3.0276     3.5919     1.0378     0.6000     2.6085 
   C  19    4.1931     4.0099     4.5890     1.0398     1.1985     3.6412 

              O   7      C   8      C   9      C  10      C  11     Cl  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    2.7435     0.0000 
   C   9    1.5869     4.1931     0.0000 
   C  10    1.7960     1.0375     3.1698     0.0000 
   C  11    0.5975     2.1600     2.0750     1.1985     0.0000 
  Cl  12    2.0750     4.7527     0.5975     3.7391     2.6090     0.0000 
   C  13    1.5863     1.5829     2.7474     0.5975     1.0398     3.3358 
   C  14    1.5829     1.1985     3.1125     0.6000     1.0375     3.6416 
   C  15    1.0378     2.0750     2.1600     1.0375     0.6000     2.7435 
   C  16    1.0375     1.7960     2.6131     1.0378     0.6010     3.1125 
   C  17    1.5863     3.6416     1.0398     2.6090     1.7960     1.5863 
   C  18    1.0398     3.1125     1.1985     2.0750     1.1985     1.7960 
   C  19    1.7995     4.1500     0.6000     3.1125     2.1600     1.0378 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0378     0.0000 
   C  15    0.6010     1.1985     0.0000 
   C  16    1.2000     0.5975     1.0398     0.0000 
   C  17    2.0750     2.7435     1.5829     2.3970     0.0000 
   C  18    1.5869     2.1600     1.0375     1.7995     0.5975     0.0000 
   C  19    2.6131     3.1698     2.0750     2.7474     0.6010     1.0375 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   C   1    0.0174207573
   C   2    0.0014773651
   C   3    0.0014773651
   C   4    0.0482741264
   C   5    0.1392171376
   N   6   -0.2194617873
   O   7   -0.4791451979
   C   8    0.0885974927
   C   9    0.0606880444
   C  10    0.0730170264
   C  11    0.1659903112
  Cl  12   -0.0821416355
   C  13    0.0210814434
   C  14    0.0210814434
   C  15    0.0449508634
   C  16    0.0449508634
   C  17    0.0039777791
   C  18    0.0369502432
   C  19    0.0115963587


BOND ANGLES
   2    1    3   C3   C3   C3     59.878
   2    1    8   C3   C3   C3    150.061
   3    1    8   C3   C3   C3    150.061
   1    2    3   C3   C3   C3     60.061
   1    3    2   C3   C3   C3     60.061
   5    4    9  Car  Car  Car    119.917
   4    5    7  Car  Car   O3    119.917
   4    5   18  Car  Car  Car    120.140
   7    5   18   O3  Car  Car    119.944
   8    6   10   C3   N3   C3    120.614
   5    7   11  Car   O3   C3    119.917
   1    8    6   C3   C3   N3    119.595
   4    9   12  Car  Car   Cl    119.917
   4    9   19  Car  Car  Car    119.944
  12    9   19   Cl  Car  Car    120.140
   6   10   13   N3   C3   C3    120.070
   6   10   14   N3   C3   C3    119.790
  13   10   14   C3   C3   C3    120.140
   7   11   15   O3   C3   C3    120.140
   7   11   16   O3   C3   C3    119.917
  15   11   16   C3   C3   C3    119.944
  10   13   15   C3   C3   C3    119.917
  10   14   16   C3   C3   C3    120.140
  11   15   13   C3   C3   C3    119.944
  11   16   14   C3   C3   C3    119.917
  18   17   19  Car  Car  Car    119.917
   5   18   17  Car  Car  Car    120.140
   9   19   17  Car  Car  Car    119.944


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


CHIRAL ATOMS
   9   19   17   18      0.026
   9   19   17   18      0.026