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4-(3-pyridinyl)-1H-imidazol-1-butanamaine
4-(3-pyridinyl)-1H-imidazol-1-butanamaine ID: API-9501
CAS:173838-63-6
Supplier:APIchem

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SMILES:NCCCCn1cc(c2cnccc2)nc1	ChemMol.com
FORMULA: C12H16N4
MASS: 216.2822
EXACT MASS: 216.1374965
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    7.1484     0.0000 
   C   3    7.2698     0.8274     0.0000 
   N   4    6.6710     1.4330     0.8292     0.0000 
   C   5    5.8746     1.6520     1.4313     0.8234     0.0000 
   C   6    5.7278     1.4272     1.6526     1.4319     0.8306     0.0000 
   C   7    6.4080     0.8265     1.4326     1.6529     1.4305     0.8203 
   C   8    4.9829     2.1823     2.4784     2.1852     1.4333     0.8258 
   C   9    4.2630     2.8940     3.0343     2.5466     1.7234     1.4678 
   N  10    3.6742     3.5179     3.7727     3.3505     2.5318     2.1375 
   C  11    4.1623     3.3445     3.7703     3.5200     2.7532     2.1351 
   N  12    4.9328     2.5484     3.0397     2.9041     2.2165     1.4732 
   C  13    2.8485     4.3168     4.5120     4.0120     3.1896     2.9109 
   C  14    2.1824     5.0842     5.3169     4.8313     4.0084     3.6978 
   C  15    1.4272     5.7282     5.8787     5.3163     4.5061     4.3121 
   C  16    0.8250     6.4904     6.6750     6.1299     5.3163     5.0863 

              C   7      C   8      C   9      N  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4260     0.0000 
   C   9    2.2013     0.8211     0.0000 
   N  10    2.7462     1.3358     0.8309     0.0000 
   C  11    2.5221     1.3349     1.3353     0.8215     0.0000 
   N  12    1.7220     0.8292     1.3363     1.3349     0.8241     0.0000 
   C  13    3.5618     2.1395     1.4799     0.8291     1.4711     2.1386 
   C  14    4.3065     2.9023     2.2929     1.5665     1.9800     2.7585 
   C  15    4.9819     3.5576     2.8536     2.2474     2.7733     3.5209 
   C  16    5.7246     4.3096     3.6420     2.9785     3.3940     4.1850 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.8203     0.0000 
   C  15    1.4213     0.8248     0.0000 
   C  16    2.1756     1.4292     0.8233     0.0000 



ATOMIC CHARGES
   N   1   -0.1313864737
   C   2    0.0207299819
   C   3    0.0988851371
   N   4   -0.2422680562
   C   5    0.1003847481
   C   6    0.0383437861
   C   7    0.0046923644
   C   8    0.1016895688
   C   9    0.0964769135
   N  10   -0.3078763423
   C  11    0.1785483093
   N  12   -0.2238320023
   C  13    0.1076816936
   C  14    0.0260648084
   C  15    0.0224944066
   C  16    0.1093711568


BOND ANGLES
   3    2    7  Car  Car  Car    120.039
   2    3    4  Car  Car  Nar    119.775
   3    4    5  Car  Nar  Car    120.015
   4    5    6  Nar  Car  Car    119.927
   7    6    8  Car  Car  Car    120.055
   5    6    8  Car  Car  Car    119.839
   5    6    7  Car  Car  Car    120.106
   2    7    6  Car  Car  Car    120.138
   6    8   12  Car  Car  Nar    125.791
   9    8   12  Car  Car  Nar    108.144
   6    8    9  Car  Car  Car    126.065
   8    9   10  Car  Car  Nar    107.919
  11   10   13  Car  Nar   C3    126.057
   9   10   11  Car  Nar  Car    107.819
   9   10   13  Car  Nar   C3    126.125
  10   11   12  Nar  Car  Nar    108.427
   8   12   11  Car  Nar  Car    107.692
  10   13   14  Nar   C3   C3    143.512
  13   14   15   C3   C3   C3    119.532
  14   15   16   C3   C3   C3    120.261
   1   16   15   N3   C3   C3    119.957


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