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2-(1H-imidazol-5-yl)ethanamine dihydrochloride
2-(1H-imidazol-5-yl)ethanamine dihydrochloride ID: AN-8924
CAS:56-92-8
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.Cl.[nH]1c(CCN)cnc1	5818
FORMULA: C5H11Cl2N3
MASS: 184.0669
EXACT MASS: 183.0330027
INTERATOMIC DISTANCES

             Cl   1     Cl   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    2.5000     0.0000 
   N   3    5.6709     3.2108     0.0000 
   N   4    6.8149     4.6259     3.5129     0.0000 
   N   5    7.2685     4.8257     1.6180     4.0554     0.0000 
   C   6    5.9833     3.5434     1.7820     1.7320     2.5876     0.0000 
   C   7    6.2080     3.7081     1.0000     2.6458     1.6180     1.0000 
   C   8    6.7958     4.4264     2.6767     1.0000     3.0608     0.9999 
   C   9    7.1635     4.6659     1.6180     3.0883     1.0000     1.7820 
   C  10    6.4025     4.0254     1.0000     4.2636     0.9999     2.5876 
   H  11    5.3983     2.9386     1.4934     2.1829     2.6728     0.6201 
   H  12    5.7149     3.3652     2.2510     1.4156     3.2016     0.6199 
   H  13    7.4009     5.0445     3.1692     1.0812     3.2946     1.5967 
   H  14    7.0623     4.6236     2.4138     1.5968     2.5233     1.0812 
   H  15    5.0571     2.6124     0.6200     3.6765     2.2159     1.9763 
   H  16    7.6611     5.1615     2.2159     2.9448     1.4537     1.9762 
   H  17    6.3911     4.1250     1.4537     4.8591     1.4537     3.1610 
   H  18    7.3827     5.2331     4.0543     0.6199     4.4416     2.2900 
   H  19    6.3190     4.2330     3.5832     0.6200     4.3521     1.8396 
   H  20    1.0000     2.6926     5.8886     6.4847     7.5065     5.8988 
   H  21    2.6926     1.0000     3.5812     4.1239     5.1772     3.3988 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    0.9999     2.0885     0.0000 
   C  10    1.6180     3.3317     1.6180     0.0000 
   H  11    1.0813     1.5968     2.0509     2.4337     0.0000 
   H  12    1.5967     1.0812     2.3985     3.1346     0.7970     0.0000 
   H  13    2.1829     0.6200     2.2947     3.7158     2.2064     1.6888 
   H  14    1.4155     0.6200     1.5290     2.9194     1.6889     1.4515 
   H  15    1.4537     2.9537     2.2159     1.4537     1.5104     2.3073 
   H  16    1.4537     1.9696     0.6200     2.2159     2.3869     2.5514 
   H  17    2.2160     3.9407     2.2160     0.6200     2.9438     3.6813 
   H  18    3.1407     1.4158     3.4493     4.7469     2.7806     2.0285 
   H  19    2.8292     1.4157     3.4314     4.4271     2.1354     1.3413 
   H  20    6.2799     6.6100     7.2685     6.7176     5.3591     5.5389 
   H  21    3.8273     4.1356     4.8257     4.5097     2.8659     3.0567 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    3.5047     2.8035     0.0000 
   H  16    2.0054     1.3521     2.7973     0.0000 
   H  17    4.3347     3.5386     1.7289     2.7973     0.0000 
   H  18    1.2046     1.9203     4.2578     3.2062     5.3542     0.0000 
   H  19    1.6620     2.0354     3.6420     3.3799     4.9951     1.0739 
   H  20    7.1904     6.9543     5.3001     7.7124     6.7941     7.0136 
   H  21    4.7302     4.4570     3.0563     5.2372     4.7254     4.6981 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    5.9397     0.0000 
   H  21    3.6426     2.5000     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
  Cl   2   -0.1453996612
   N   3   -0.3481538407
   N   4   -0.3296217675
   N   5   -0.2439868172
   C   6    0.0013452398
   C   7    0.0365141505
   C   8   -0.0015212857
   C   9    0.0484336832
   C  10    0.0935048030
   H  11    0.0340281217
   H  12    0.0340281217
   H  13    0.0425446979
   H  14    0.0425446979
   H  15    0.1664839132
   H  16    0.0847555517
   H  17    0.1026517055
   H  18    0.1182245125
   H  19    0.1182245125
   H  20    0.1453996612
   H  21    0.1453996612


BOND ANGLES
   7    3   10  Car  Nar  Car    107.997
   7    3   15  Car  Nar   HC    126.001
  10    3   15  Car  Nar   HC    126.001
   8    4   18   C3   N3   HC    120.003
   8    4   19   C3   N3   HC    119.988
  18    4   19   HC   N3   HC    120.009
   9    5   10  Car  Nar  Car    108.000
   7    6    8  Car   C3   C3    120.001
   7    6   11  Car   C3   HC     79.999
   7    6   12  Car   C3   HC    159.995
   8    6   11   C3   C3   HC    160.000
   8    6   12   C3   C3   HC     80.003
  11    6   12   HC   C3   HC     79.996
   3    7    6  Nar  Car   C3    126.000
   3    7    9  Nar  Car  Car    108.001
   6    7    9   C3  Car  Car    125.998
   4    8    6   N3   C3   C3    120.001
   4    8   13   N3   C3   HC     79.995
   4    8   14   N3   C3   HC    160.001
   6    8   13   C3   C3   HC    160.004
   6    8   14   C3   C3   HC     79.998
  13    8   14   HC   C3   HC     80.006
   5    9    7  Nar  Car  Car    108.000
   5    9   16  Nar  Car   HC    125.997
   7    9   16  Car  Car   HC    126.002
   3   10    5  Nar  Car  Nar    108.001
   3   10   17  Nar  Car   HC    125.999
   5   10   17  Nar  Car   HC    126.000


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