Sign In Join Free

Products Information

4-(3-Chloro-phenoxy)-cyclohexylamine 1HCl salt
4-(3-Chloro-phenoxy)-cyclohexylamine 1HCl salt ID: B204090
CAS:380828-77-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1c(OC2CCC(N)CC2)cccc1Cl	
FORMULA: C12H16ClNO
MASS: 225.7145
EXACT MASS: 225.0920418
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   O   3    1.0399     0.6011     0.0000 
   C   4    0.5974     1.0377     1.5863     0.0000 
   C   5    1.1985     1.0375     0.5974     1.7959     0.0000 
   N   6    2.6085     2.7421     2.3913     3.1083     1.7939     0.0000 
  Cl   7    1.0341     1.5825     2.0740     0.5958     2.1570     3.1657 
   C   8    2.0750     2.1600     1.7959     2.6089     1.1985     0.5954 
   C   9    1.0375     1.1985     1.0377     1.5828     0.6000     1.5821 
   C  10    1.7960     1.5829     1.0333     2.3934     0.5975     1.5831 
   C  11    1.5829     1.7960     1.5836     2.0708     1.0378     1.0375 
   C  12    2.1600     2.0750     1.5828     2.7434     1.0375     1.0341 
   C  13    1.1985     1.0375     1.5870     1.0399     2.0750     3.7381 
   C  14    1.0377     0.5974     1.0375     1.2000     1.5828     3.3304 
   C  15    1.0375     1.1985     1.7996     0.6011     2.1600     3.6412 

             Cl   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
  Cl   7    0.0000 
   C   8    2.7421     0.0000 
   C   9    1.7938     1.0375     0.0000 
   C  10    2.7410     1.0398     1.0378     0.0000 
   C  11    2.1548     0.6010     0.5975     1.2000     0.0000 
   C  12    2.9923     0.6000     1.1985     0.6010     1.0398     0.0000 
   C  13    1.5839     3.1698     2.1600     2.6090     2.7435     3.1125 
   C  14    1.7958     2.7434     1.7959     2.0708     2.3934     2.6089 
   C  15    1.0362     3.1125     2.0750     2.7435     2.6090     3.1698 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.6011     0.0000 
   C  15    0.6000     1.0399     0.0000 



ATOMIC CHARGES
   C   1    0.0482741264
   C   2    0.1392171376
   O   3   -0.4791451919
   C   4    0.0606880444
   C   5    0.1659916931
   N   6   -0.1329123991
  Cl   7   -0.0821416355
   C   8    0.0920656969
   C   9    0.0450044497
   C  10    0.0450044497
   C  11    0.0227146239
   C  12    0.0227146239
   C  13    0.0039777791
   C  14    0.0369502432
   C  15    0.0115963587


BOND ANGLES
   2    1    4  Car  Car  Car    120.145
   1    2    3  Car  Car   O3    119.939
   1    2   14  Car  Car  Car    120.145
   3    2   14   O3  Car  Car    119.917
   2    3    5  Car   O3   C3    119.917
   1    4    7  Car  Car   Cl    120.145
   1    4   15  Car  Car  Car    119.917
   7    4   15   Cl  Car  Car    119.939
   3    5    9   O3   C3   C3    120.145
   3    5   10   O3   C3   C3    119.716
   9    5   10   C3   C3   C3    120.140
   6    8   12   N3   C3   C3    119.790
   6    8   11   N3   C3   C3    120.266
  11    8   12   C3   C3   C3    119.944
   5    9   11   C3   C3   C3    120.140
   5   10   12   C3   C3   C3    119.917
   8   11    9   C3   C3   C3    119.917
   8   12   10   C3   C3   C3    119.944
  14   13   15  Car  Car  Car    119.939
   2   14   13  Car  Car  Car    119.917
   4   15   13  Car  Car  Car    119.939


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


CHIRAL ATOMS
   9   11    8   12      0.026
   9   11    8   12      0.026