Sign In Join Free

Products Information

7H-purin-2-amine
7H-purin-2-amine ID: AN-44962
CAS:452-06-2
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:[nH]1c2c(nc1)nc(nc2)N	9955
FORMULA: C5H5N5
MASS: 135.1267
EXACT MASS: 135.0544952
INTERATOMIC DISTANCES

              N   1      N   2      N   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.6095     0.0000 
   N   3    2.5575     1.8227     0.0000 
   N   4    2.6955     2.9791     1.7320     0.0000 
   N   5    3.9773     3.5497     1.7321     1.7321     0.0000 
   C   6    0.9941     1.6118     1.7320     1.7320     3.0000     0.0000 
   C   7    1.6117     0.9941     1.0000     2.0000     2.6458     1.0000 
   C   8    1.8227     2.5576     2.0000     1.0000     2.6458     1.0000 
   C   9    0.9940     0.9941     2.5961     3.2999     4.2473     1.6094 
   C  10    2.9791     2.6955     1.0000     1.0000     1.0001     2.0000 
   H  11    0.6200     2.2072     3.1226     3.0068     4.4380     1.4478 
   H  12    1.9872     3.0272     2.6200     1.4158     3.1408     1.4158 
   H  13    1.4478     1.4479     3.1773     3.9139     4.8521     2.2072 
   H  14    4.3463     4.0828     2.2901     1.8397     0.6200     3.3533 
   H  15    4.2943     3.6368     1.8397     2.2901     0.6200     3.3533 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.6094     2.5961     0.0000 
   C  10    1.7320     1.7320     3.2999     0.0000 
   H  11    2.2100     2.0431     1.4478     3.4393     0.0000 
   H  12    2.2901     0.6200     2.8921     2.2901     2.0175     0.0000 
   H  13    2.2072     3.1773     0.6200     3.9139     1.7220     3.4234 
   H  14    3.1408     2.8292     4.7156     1.4158     4.7548     3.2380 
   H  15    2.8292     3.1408     4.4344     1.4158     4.8009     3.6739 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    5.3297     0.0000 
   H  15    5.0167     1.0739     0.0000 



ATOMIC CHARGES
   N   1   -0.3419251554
   N   2   -0.2164499962
   N   3   -0.1933841735
   N   4   -0.2209226426
   N   5   -0.3274224510
   C   6    0.1035161607
   C   7    0.1824360293
   C   8    0.0581371142
   C   9    0.0962453971
   C  10    0.2145522845
   H  11    0.1668897840
   H  12    0.0852776508
   H  13    0.1027405820
   H  14    0.1451547081
   H  15    0.1451547081


BOND ANGLES
   6    1    9  Car  Nar  Car    108.101
   6    1   11  Car  Nar   HC    125.949
   9    1   11  Car  Nar   HC    125.950
   7    2    9  Car  Nar  Car    108.092
   7    3   10  Car  Nar  Car    119.999
   8    4   10  Car  Nar  Car    120.001
  10    5   14  Car  Npl   HC    120.000
  10    5   15  Car  Npl   HC    119.998
  14    5   15   HC  Npl   HC    120.002
   1    6    7  Nar  Car  Car    107.850
   1    6    8  Nar  Car  Car    132.149
   7    6    8  Car  Car  Car    120.001
   2    7    3  Nar  Car  Nar    132.144
   2    7    6  Nar  Car  Car    107.855
   3    7    6  Nar  Car  Car    120.001
   4    8    6  Nar  Car  Car    119.999
   4    8   12  Nar  Car   HC    120.001
   6    8   12  Car  Car   HC    120.001
   1    9    2  Nar  Car  Nar    108.101
   1    9   13  Nar  Car   HC    125.951
   2    9   13  Nar  Car   HC    125.948
   3   10    4  Nar  Car  Nar    120.001
   3   10    5  Nar  Car  Npl    120.001
   4   10    5  Nar  Car  Npl    119.998


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