Sign In Join Free

Products Information

[4-(4-Chloro-phenoxy)-cyclohexyl]-methyl-amine 1HCl salt
[4-(4-Chloro-phenoxy)-cyclohexyl]-methyl-amine 1HCl salt ID: B204093
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:O(c1ccc(Cl)cc1)C1CCC(NC)CC1	
FORMULA: C13H18ClNO
MASS: 239.7411
EXACT MASS: 239.1076919
INTERATOMIC DISTANCES

              O   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    1.7995     1.1985     0.0000 
   N   4    2.3935     2.7435     3.6416     0.0000 
   C   5    0.5975     1.0375     2.1600     1.7960     0.0000 
   C   6    1.7960     2.1600     3.1125     0.5975     1.1985     0.0000 
  Cl   7    2.3970     1.7960     0.5975     4.1459     2.7435     3.6416 
   C   8    1.0375     0.5975     1.0398     3.3320     1.5829     2.7435 
   C   9    1.0398     0.6000     1.0375     2.6090     1.1985     2.0750 
   C  10    1.5863     1.0378     0.6010     3.1084     1.7960     2.6090 
   C  11    1.5869     1.0375     0.6000     3.7391     2.0750     3.1698 
   C  12    1.0375     1.5869     2.7474     1.5836     0.6010     1.0378 
   C  13    1.0378     1.1985     2.0750     1.5829     0.6000     1.0375 
   C  14    1.5829     2.0750     3.1698     1.0378     1.0375     0.6000 
   C  15    1.5863     1.7995     2.6131     1.0334     1.0398     0.5975 
   C  16    2.7435     3.1698     4.1500     0.6010     2.1600     1.0375 

             Cl   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   C   8    1.5863     0.0000 
   C   9    1.5829     1.0378     0.0000 
   C  10    1.0375     1.2000     0.5975     0.0000 
   C  11    1.0378     0.6010     1.1985     1.0398     0.0000 
   C  12    3.3358     2.0750     1.7995     2.3970     2.6131     0.0000 
   C  13    2.6090     1.7960     1.0375     1.5829     2.1600     1.0398 
   C  14    3.7391     2.6090     2.1600     2.7435     3.1125     0.5975 
   C  15    3.1125     2.3970     1.5869     2.0750     2.7474     1.2000 
   C  16    4.6763     3.7391     3.1125     3.6416     4.1931     1.7960 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.1985     0.0000 
   C  15    0.6010     1.0378     0.0000 
   C  16    2.0750     1.1985     1.5829     0.0000 



ATOMIC CHARGES
   O   1   -0.4791721751
   C   2    0.1384270548
   C   3    0.0578711496
   N   4   -0.2179424237
   C   5    0.1659898042
   C   6    0.0730703660
  Cl   7   -0.0822418633
   C   8    0.0377606516
   C   9    0.0377606516
   C  10    0.0145059491
   C  11    0.0145059491
   C  12    0.0449508640
   C  13    0.0449508640
   C  14    0.0210821437
   C  15    0.0210821437
   C  16    0.1073988707


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


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


CHIRAL ATOMS
  13   15    6   14      0.026
  13   15    6   14      0.026