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4-(4-Chloro-phenoxy)-cyclohexylamine 1HCl salt
4-(4-Chloro-phenoxy)-cyclohexylamine 1HCl salt ID: B204091
CAS:380828-77-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:O(c1ccc(Cl)cc1)C1CCC(N)CC1	
FORMULA: C12H16ClNO
MASS: 225.7145
EXACT MASS: 225.0920418
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      N   5     Cl   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    1.7995     1.1985     0.0000 
   C   4    0.5975     1.0375     2.1600     0.0000 
   N   5    2.3934     2.7434     3.6415     1.7959     0.0000 
  Cl   6    2.3970     1.7960     0.5975     2.7435     4.1458     0.0000 
   C   7    1.7960     2.1600     3.1125     1.1985     0.5974     3.6416 
   C   8    1.0375     0.5975     1.0398     1.5829     3.3319     1.5863 
   C   9    1.0398     0.6000     1.0375     1.1985     2.6089     1.5829 
   C  10    1.5863     1.0378     0.6010     1.7960     3.1083     1.0375 
   C  11    1.5869     1.0375     0.6000     2.0750     3.7390     1.0378 
   C  12    1.0333     1.5828     2.7434     0.5974     1.5863     3.3319 
   C  13    1.0378     1.1985     2.0750     0.6000     1.5828     2.6090 
   C  14    1.5829     2.0750     3.1698     1.0375     1.0377     3.7391 
   C  15    1.5836     1.7959     2.6089     1.0377     1.0375     3.1083 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.7435     0.0000 
   C   9    2.0750     1.0378     0.0000 
   C  10    2.6090     1.2000     0.5975     0.0000 
   C  11    3.1698     0.6010     1.1985     1.0398     0.0000 
   C  12    1.0399     2.0708     1.7959     2.3934     2.6089     0.0000 
   C  13    1.0375     1.7960     1.0375     1.5829     2.1600     1.0377 
   C  14    0.6000     2.6090     2.1600     2.7435     3.1125     0.6011 
   C  15    0.6011     2.3934     1.5828     2.0708     2.7434     1.2000 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.1985     0.0000 
   C  15    0.5974     1.0399     0.0000 



ATOMIC CHARGES
   O   1   -0.4791721691
   C   2    0.1384270548
   C   3    0.0578711496
   C   4    0.1659911861
   N   5   -0.1329123991
  Cl   6   -0.0822418633
   C   7    0.0920656969
   C   8    0.0377606516
   C   9    0.0377606516
   C  10    0.0145059491
   C  11    0.0145059491
   C  12    0.0450044475
   C  13    0.0450044475
   C  14    0.0227146239
   C  15    0.0227146239


BOND ANGLES
   2    1    4  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
   6    3   11   Cl  Car  Car    120.140
  10    3   11  Car  Car  Car    119.944
   6    3   10   Cl  Car  Car    119.917
   1    4   12   O3   C3   C3    119.716
   1    4   13   O3   C3   C3    120.140
  12    4   13   C3   C3   C3    120.145
   5    7   14   N3   C3   C3    120.145
   5    7   15   N3   C3   C3    119.917
  14    7   15   C3   C3   C3    119.939
   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
   4   12   14   C3   C3   C3    119.917
   4   13   15   C3   C3   C3    120.145
   7   14   12   C3   C3   C3    119.939
   7   15   13   C3   C3   C3    119.917


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


CHIRAL ATOMS
  13   15    7   14      0.026
  13   15    7   14      0.026