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(2S)-2,6-diaminohexanoic acid
(2S)-2,6-diaminohexanoic acid ID: AN-23568
CAS:56-87-1
Supplier:AN PharmaTech Co Ltd

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SMILES:OC(=O)[C@@H](N)CCCCN	5962
FORMULA: C6H14N2O2
MASS: 146.1876
EXACT MASS: 146.1055277
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   N   3    2.6457     2.0000     0.0000 
   N   4    5.2915     6.0828     4.5826     0.0000 
   C   5    2.9999     3.4641     2.0000     2.6458     0.0000 
   C   6    2.0000     2.6457     1.7320     3.4641     1.0000     0.0000 
   C   7    3.6055     4.3589     3.0000     1.7321     1.0000     1.7320 
   C   8    1.7320     1.7320     1.0000     4.3589     1.7320     1.0000 
   C   9    4.5826     5.1962     3.6056     1.0000     1.7321     2.6458 
   C  10    1.0000     1.0000     1.7320     5.1962     2.6457     1.7320 
   H  11    2.9561     3.1022     1.4332     3.1512     0.6200     1.0813 
   H  12    3.5888     3.8917     2.1944     2.4059     0.6200     1.5968 
   H  13    2.1943     3.1512     2.3451     3.1022     1.0812     0.6200 
   H  14    1.4331     2.4059     2.0295     3.8918     1.5968     0.6200 
   H  15    3.8981     4.8281     3.5889     1.4156     1.5967     2.1829 
   H  16    3.1102     4.0506     2.9560     2.1829     1.0812     1.4155 
   H  17    1.8396     1.2346     0.8743     4.9340     2.2901     1.6200 
   H  18    4.3997     4.8211     3.1102     1.5967     1.4156     2.4059 
   H  19    5.1245     5.6148     3.8982     1.0812     2.1829     3.1512 
   H  20    3.1408     2.6200     0.6201     4.2029     1.7733     1.8397 
   H  21    2.8291     1.7732     0.6200     5.1927     2.6200     2.2901 
   H  22    5.8808     6.6018     5.0104     0.6200     3.1408     4.0130 
   H  23    5.2100     6.1648     4.8212     0.6201     2.8292     3.5191 
   H  24    0.6201     1.8397     3.1408     5.8809     3.6200     2.6200 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6457     0.0000 
   C   9    1.0001     3.4641     0.0000 
   C  10    3.4641     1.0000     4.3589     0.0000 
   H  11    1.5967     1.4156     2.1829     2.4059     0.0000 
   H  12    1.0812     2.1829     1.4155     3.1512     0.7971     0.0000 
   H  13    1.4155     1.5967     2.4059     2.1829     1.4515     1.6888 
   H  14    2.1829     1.0812     3.1513     1.4155     1.6889     2.2064 
   H  15    0.6200     3.1512     1.0813     3.8917     2.2063     1.6888 
   H  16    0.6199     2.4059     1.5968     3.1021     1.6888     1.4514 
   H  17    3.2380     0.6200     4.0131     0.8743     1.8777     2.6726 
   H  18    1.0813     3.1022     0.6200     4.0507     1.7320     0.9350 
   H  19    1.5968     3.8917     0.6199     4.8281     2.5291     1.7320 
   H  20    2.7431     1.4158     3.2069     2.2901     1.1541     1.7992 
   H  21    3.6200     1.4158     4.2101     1.8396     2.0484     2.7952 
   H  22    2.2901     4.8708     1.4158     5.7415     3.5955     2.8161 
   H  23    1.8397     4.4726     1.4158     5.2330     3.3946     2.7169 
   H  24    4.2100     2.2901     5.1928     1.4158     3.5651     4.2080 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    1.7320     2.5292     0.0000 
   H  16    0.9350     1.7321     0.7971     0.0000 
   H  17    2.2128     1.6309     3.7599     3.0231     0.0000 
   H  18    2.3121     2.9753     1.4515     1.6888     3.6063     0.0000 
   H  19    2.9752     3.6918     1.6888     2.2063     4.4027     0.7971 
   H  20    2.3980     2.2860     3.3572     2.8258     1.4674     2.6630 
   H  21    2.9097     2.4959     4.2079     3.5650     1.0000     3.6980 
   H  22    3.6870     4.4691     2.0285     2.7806     5.4271     1.9203 
   H  23    3.0690     3.8654     1.3414     2.1355     5.0728     2.0354 
   H  24    2.7952     2.0484     4.4781     3.6980     2.2901     5.0189 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.4289     0.0000 
   H  21    4.4781     1.0739     0.0000 
   H  22    1.2046     4.5826     5.6083     0.0000 
   H  23    1.6620     4.5048     5.4400     1.0739     0.0000 
   H  24    5.7400     3.6740     3.2380     6.4759     5.7745     0.0000 




ATOMIC CHARGES
   O   1   -0.4795343385
   O   2   -0.2492542541
   N   3   -0.3184009102
   N   4   -0.3299786129
   C   5   -0.0499935837
   C   6   -0.0273313909
   C   7   -0.0405872132
   C   8    0.1032425869
   C   9   -0.0069039860
   C  10    0.3217129713
   H  11    0.0266284591
   H  12    0.0266284591
   H  13    0.0285505965
   H  14    0.0285505965
   H  15    0.0277426165
   H  16    0.0277426165
   H  17    0.0573862113
   H  18    0.0421794452
   H  19    0.0421794452
   H  20    0.1189553102
   H  21    0.1189553102
   H  22    0.1182132320
   H  23    0.1182132320
   H  24    0.2951032010


BOND ANGLES
  10    1   24   C2   O3   HO    120.002
   8    3   20   C3   N3   HC    120.002
   8    3   21   C3   N3   HC    120.001
  20    3   21   HC   N3   HC    119.997
   9    4   22   C3   N3   HC    120.002
   9    4   23   C3   N3   HC    119.997
  22    4   23   HC   N3   HC    120.001
   6    5    7   C3   C3   C3    120.001
   6    5   11   C3   C3   HC     80.004
   6    5   12   C3   C3   HC    160.002
   7    5   11   C3   C3   HC    159.996
   7    5   12   C3   C3   HC     79.997
  11    5   12   HC   C3   HC     79.999
   5    6    8   C3   C3   C3    120.001
   5    6   13   C3   C3   HC     79.995
   5    6   14   C3   C3   HC    160.002
   8    6   13   C3   C3   HC    160.004
   8    6   14   C3   C3   HC     79.997
  13    6   14   HC   C3   HC     80.007
   5    7    9   C3   C3   C3    119.998
   5    7   15   C3   C3   HC    160.004
   5    7   16   C3   C3   HC     79.995
   9    7   15   C3   C3   HC     79.998
   9    7   16   C3   C3   HC    160.007
  15    7   16   HC   C3   HC     80.009
   3    8    6   N3   C3   C3    120.001
   3    8   10   N3   C3   C2    119.999
   3    8   17   N3   C3   HC     59.999
   6    8   10   C3   C3   C2    120.001
   6    8   17   C3   C3   HC    179.974
  10    8   17   C2   C3   HC     59.999
   4    9    7   N3   C3   C3    119.998
   4    9   18   N3   C3   HC    160.004
   4    9   19   N3   C3   HC     79.995
   7    9   18   C3   C3   HC     79.998
   7    9   19   C3   C3   HC    160.007
  18    9   19   HC   C3   HC     80.009
   1   10    2   O3   C2   O2    120.001
   1   10    8   O3   C2   C3    119.999
   2   10    8   O2   C2   C3    120.001


TORSION ANGLES
  24    1   10    2      0.026
  24    1   10    8    179.974
   6    8    3   20      0.026
   6    8    3   21    179.974
  10    8    3   20    179.974
  10    8    3   21      0.026
  17    8    3   20    179.974
  17    8    3   21      0.026
  22    4    9    7    179.974
  22    4    9   18      0.026
  22    4    9   19      0.026
  23    4    9    7      0.026
  23    4    9   18    179.974
  23    4    9   19    179.974
   7    5    6    8    179.974
   7    5    6   13      0.026
   7    5    6   14      0.026
  11    5    6    8      0.026
  11    5    6   13    179.974
  11    5    6   14    179.974
  12    5    6    8      0.026
  12    5    6   13    179.974
  12    5    6   14    179.974
   6    5    7    9    179.974
   6    5    7   15      0.026
   6    5    7   16      0.026
  11    5    7    9      0.026
  11    5    7   15    179.974
  11    5    7   16    179.974
  12    5    7    9      0.026
  12    5    7   15    179.974
  12    5    7   16    179.974
   5    6    8    3      0.026
   5    6    8   10    179.974
   5    6    8   17    180.000
  13    6    8    3    179.974
  13    6    8   10      0.026
  13    6    8   17    180.000
  14    6    8    3    179.974
  14    6    8   10      0.026
  14    6    8   17    180.000
   5    7    9    4    179.974
   5    7    9   18      0.026
   5    7    9   19      0.026
  15    7    9    4      0.026
  15    7    9   18    179.974
  15    7    9   19    179.974
  16    7    9    4      0.026
  16    7    9   18    179.974
  16    7    9   19    179.974
   3    8   10    1    179.974
   3    8   10    2      0.026
   6    8   10    1      0.026
   6    8   10    2    179.974
  17    8   10    1    179.974
  17    8   10    2      0.026


CHIRAL ATOMS
  17    8   10    2      0.026