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2,5-Diamino-3-picoline
2,5-Diamino-3-picoline ID: API-28729
CAS:106070-58-0
Supplier:APIchem

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SMILES:n1c(N)c(cc(N)c1)C	ChemMol.com
FORMULA: C6H9N3
MASS: 123.1558
EXACT MASS: 123.0796473
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.7321     0.0000 
   N   3    2.6457     4.0000     0.0000 
   C   4    1.7320     1.7321     2.6457     0.0000 
   C   5    2.0000     2.6458     1.7320     1.0000     0.0000 
   C   6    1.0000     1.0001     2.9999     1.0000     1.7320     0.0000 
   C   7    1.7320     3.0000     1.0000     1.7320     1.0000     2.0000 
   C   8    2.6458     2.0000     3.4641     1.0001     1.7321     1.7321 
   C   9    1.0000     2.6458     1.7320     2.0000     1.7320     1.7320 
   H  10    2.6200     3.1408     1.8396     1.4158     0.6200     2.2901 
   H  11    2.9083     2.5558     3.1995     1.1766     1.5201     2.1114 
   H  12    3.2380     2.3716     4.0130     1.6200     2.2901     2.2901 
   H  13    2.5121     1.4956     3.8121     1.1767     2.1115     1.5201 
   H  14    1.4158     3.1409     1.8397     2.6200     2.2901     2.2901 
   H  15    1.8397     0.6200     4.3433     2.2901     3.1408     1.4158 
   H  16    2.2901     0.6200     4.3433     1.8397     2.8292     1.4158 
   H  17    2.8292     4.3434     0.6201     3.1408     2.2901     3.3533 
   H  18    3.1407     4.3433     0.6200     2.8291     1.8396     3.3532 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6458     0.0000 
   C   9    1.0000     3.0000     0.0000 
   H  10    1.4158     1.8397     2.2901     0.0000 
   H  11    2.5121     0.6200     3.0634     1.4245     0.0000 
   H  12    3.2380     0.6200     3.6200     2.2901     0.8768     0.0000 
   H  13    2.9083     0.6200     3.0634     2.3470     1.2399     0.8768 
   H  14    1.4158     3.6201     0.6201     2.8059     3.6728     4.2400 
   H  15    3.3533     2.6200     2.8292     3.6739     3.1721     2.9788 
   H  16    3.3533     1.7732     3.1408     3.2380     2.3825     2.0000 
   H  17    1.4158     4.0131     1.8397     2.4522     3.7870     4.5802 
   H  18    1.4158     3.5191     2.2901     1.7320     3.1552     4.0130 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    3.6728     0.0000 
   H  15    2.1060     3.2380     0.0000 
   H  16    1.1752     3.6740     1.0739     0.0000 
   H  17    4.3171     1.7320     4.6201     4.7432     0.0000 
   H  18    3.9474     2.4522     4.7432     4.6200     1.0739     0.0000 




ATOMIC CHARGES
   N   1   -0.2386368296
   N   2   -0.3429281680
   N   3   -0.3567855377
   C   4   -0.0091993786
   C   5   -0.0334120691
   C   6    0.1191505229
   C   7    0.0432837139
   C   8   -0.0364098125
   C   9    0.0503065010
   H  10    0.0640055018
   H  11    0.0278600877
   H  12    0.0278600877
   H  13    0.0278600877
   H  14    0.0848871724
   H  15    0.1437143649
   H  16    0.1437143649
   H  17    0.1423646954
   H  18    0.1423646954


BOND ANGLES
   6    1    9  Car  Nar  Car    119.999
   6    2   15  Car  Npl   HC    119.998
   6    2   16  Car  Npl   HC    120.000
  15    2   16   HC  Npl   HC    120.002
   7    3   17  Car  Npl   HC    120.002
   7    3   18  Car  Npl   HC    120.001
  17    3   18   HC  Npl   HC    119.997
   5    4    6  Car  Car  Car    120.001
   5    4    8  Car  Car   C3    120.001
   6    4    8  Car  Car   C3    119.998
   4    5    7  Car  Car  Car    119.999
   4    5   10  Car  Car   HC    120.001
   7    5   10  Car  Car   HC    120.001
   1    6    2  Nar  Car  Npl    120.001
   1    6    4  Nar  Car  Car    120.001
   2    6    4  Npl  Car  Car    119.998
   3    7    5  Npl  Car  Car    119.999
   3    7    9  Npl  Car  Car    120.001
   5    7    9  Car  Car  Car    120.001
   4    8   11  Car   C3   HC     89.996
   4    8   12  Car   C3   HC    179.974
   4    8   13  Car   C3   HC     90.004
  11    8   12   HC   C3   HC     90.000
  11    8   13   HC   C3   HC    179.974
  12    8   13   HC   C3   HC     90.000
   1    9    7  Nar  Car  Car    120.001
   1    9   14  Nar  Car   HC    120.002
   7    9   14  Car  Car   HC    119.997


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