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(R)-2-Aminocyclohenanol
(R)-2-Aminocyclohenanol ID: API-42874
CAS:931-16-8
Supplier:APIchem

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SMILES:O[C@H]1C(N)CCCC1	ChemMol.com
FORMULA: C6H13NO
MASS: 115.1735
EXACT MASS: 115.0997140
INTERATOMIC DISTANCES

              O   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    2.0000     0.0000 
   C   3    1.7321     1.0000     0.0000 
   C   4    1.0001     1.7320     1.0000     0.0000 
   C   5    2.6458     1.7320     1.0000     1.7320     0.0000 
   C   6    1.7321     2.6457     1.7320     1.0000     2.0000     0.0000 
   C   7    3.0000     2.6457     1.7320     2.0000     1.0000     1.7320 
   C   8    2.6458     3.0000     2.0000     1.7320     1.7320     1.0000 
   H   9    2.2901     0.8743     0.6200     1.6199     0.8743     2.2900 
   H  10    0.8744     1.2346     0.8743     0.6200     1.8396     1.6200 
   H  11    3.2657     2.1829     1.5968     2.3451     0.6200     2.5068 
   H  12    2.8114     1.4156     1.0813     2.0295     0.6200     2.5068 
   H  13    1.4155     2.8113     2.0295     1.0812     2.5068     0.6200 
   H  14    2.1829     3.2657     2.3451     1.5967     2.5068     0.6200 
   H  15    3.4978     3.2657     2.3451     2.5068     1.5967     2.0295 
   H  16    3.4977     2.8113     2.0295     2.5068     1.0812     2.3451 
   H  17    2.8114     3.4978     2.5069     2.0296     2.3451     1.0813 
   H  18    3.2657     3.4978     2.5069     2.3451     2.0296     1.5967 
   H  19    2.6200     0.6200     1.4158     2.2900     1.8397     3.1407 
   H  20    1.7732     0.6201     1.4158     1.8397     2.2901     2.8292 
   H  21    0.6200     2.6200     2.2901     1.4158     3.1408     1.8397 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    1.8397     2.3716     0.0000 
   H  10    2.3715     2.2901     1.4157     0.0000 
   H  11    1.0812     2.0295     1.3135     2.4530     0.0000 
   H  12    1.5967     2.3451     0.5870     1.9445     0.7971     0.0000 
   H  13    2.3451     1.5968     2.6367     1.6309     3.0556     2.9499 
   H  14    2.0295     1.0813     2.8867     2.2128     2.9499     3.0557 
   H  15    0.6200     1.0813     2.4530     2.9379     1.5278     2.1652 
   H  16    0.6200     1.5968     1.9444     2.7883     0.7846     1.5278 
   H  17    1.5967     0.6200     2.9379     2.6368     2.6463     2.9532 
   H  18    1.0813     0.6200     2.7884     2.8867     2.1562     2.6464 
   H  19    2.8292     3.3533     1.0000     1.8396     2.1356     1.3414 
   H  20    3.1408     3.3533     1.4674     1.2346     2.7807     2.0286 
   H  21    3.3533     2.8292     2.8736     1.4674     3.7574     3.3700 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    2.6463     2.1562     0.0000 
   H  16    2.9532     2.6463     0.7971     0.0000 
   H  17    1.5279     0.7848     1.5278     2.1652     0.0000 
   H  18    2.1652     1.5278     0.7848     1.5279     0.7970     0.0000 
   H  19    3.3700     3.7574     3.4355     2.8610     3.8989     3.7875 
   H  20    2.8610     3.4355     3.7574     3.3700     3.7875     3.8989 
   H  21    1.3414     2.1355     3.7875     3.8988     2.8611     3.4355 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    1.0739     0.0000 
   H  21    3.2400     2.3715     0.0000 



ATOMIC CHARGES
   O   1   -0.3902559996
   N   2   -0.3251343237
   C   3    0.0310978829
   C   4    0.0703252230
   C   5   -0.0353527646
   C   6   -0.0253943671
   C   7   -0.0514918699
   C   8   -0.0506228873
   H   9    0.0483516685
   H  10    0.0608585249
   H  11    0.0280985577
   H  12    0.0280985577
   H  13    0.0290533847
   H  14    0.0290533847
   H  15    0.0265787131
   H  16    0.0265787131
   H  17    0.0266090711
   H  18    0.0266090711
   H  19    0.1185477418
   H  20    0.1185477418
   H  21    0.2098439759


BOND ANGLES
   4    1   21   C3   O3   HO    120.000
   3    2   19   C3   N3   HC    120.002
   3    2   20   C3   N3   HC    119.997
  19    2   20   HC   N3   HC    120.001
   2    3    4   N3   C3   C3    120.001
   2    3    5   N3   C3   C3    120.001
   2    3    9   N3   C3   HC     59.998
   4    3    5   C3   C3   C3    119.999
   4    3    9   C3   C3   HC    179.974
   5    3    9   C3   C3   HC     60.002
   1    4    3   O3   C3   C3    120.001
   1    4    6   O3   C3   C3    119.998
   1    4   10   O3   C3   HC     60.002
   3    4    6   C3   C3   C3    120.001
   3    4   10   C3   C3   HC     59.999
   6    4   10   C3   C3   HC    179.974
   3    5    7   C3   C3   C3    120.001
   3    5   11   C3   C3   HC    160.002
   3    5   12   C3   C3   HC     80.004
   7    5   11   C3   C3   HC     79.997
   7    5   12   C3   C3   HC    159.996
  11    5   12   HC   C3   HC     79.999
   4    6    8   C3   C3   C3    120.001
   4    6   13   C3   C3   HC     79.997
   4    6   14   C3   C3   HC    159.996
   8    6   13   C3   C3   HC    160.002
   8    6   14   C3   C3   HC     80.004
  13    6   14   HC   C3   HC     79.999
   5    7    8   C3   C3   C3    120.001
   5    7   15   C3   C3   HC    159.996
   5    7   16   C3   C3   HC     79.997
   8    7   15   C3   C3   HC     80.004
   8    7   16   C3   C3   HC    160.002
  15    7   16   HC   C3   HC     79.999
   6    8    7   C3   C3   C3    119.999
   6    8   17   C3   C3   HC     80.006
   6    8   18   C3   C3   HC    159.996
   7    8   17   C3   C3   HC    159.996
   7    8   18   C3   C3   HC     80.006
  17    8   18   HC   C3   HC     79.990


TORSION ANGLES
   3    4    1   21    179.974
   6    4    1   21      0.026
  10    4    1   21    179.974
  19    2    3    4    179.974
  19    2    3    5      0.026
  19    2    3    9      0.026
  20    2    3    4      0.026
  20    2    3    5    179.974
  20    2    3    9    179.974
   2    3    4    1      0.026
   2    3    4    6    179.974
   2    3    4   10      0.026
   5    3    4    1    179.974
   5    3    4    6      0.026
   5    3    4   10    179.974
   9    3    4    1      0.026
   9    3    4    6    179.974
   9    3    4   10      0.026
   2    3    5    7    179.974
   2    3    5   11      0.026
   2    3    5   12      0.026
   4    3    5    7      0.026
   4    3    5   11    179.974
   4    3    5   12    179.974
   9    3    5    7    179.974
   9    3    5   11      0.026
   9    3    5   12      0.026
   1    4    6    8    179.974
   1    4    6   13      0.026
   1    4    6   14      0.026
   3    4    6    8      0.026
   3    4    6   13    179.974
   3    4    6   14    179.974
  10    4    6    8    180.000
  10    4    6   13    180.000
  10    4    6   14    180.000
   3    5    7    8      0.026
   3    5    7   15    179.974
   3    5    7   16    179.974
  11    5    7    8    179.974
  11    5    7   15      0.026
  11    5    7   16      0.026
  12    5    7    8    179.974
  12    5    7   15      0.026
  12    5    7   16      0.026
   4    6    8    7      0.026
   4    6    8   17    179.974
   4    6    8   18    179.974
  13    6    8    7    179.974
  13    6    8   17      0.026
  13    6    8   18      0.026
  14    6    8    7    179.974
  14    6    8   17      0.026
  14    6    8   18      0.026
   5    7    8    6      0.026
   5    7    8   17    179.974
   5    7    8   18    179.974
  15    7    8    6    179.974
  15    7    8   17      0.026
  15    7    8   18      0.026
  16    7    8    6    179.974
  16    7    8   17      0.026
  16    7    8   18      0.026


CHIRAL ATOMS
  16    7    8   18      0.026
  16    7    8   18      0.026