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4,4'-Bis(3-aminophenoxy)biphenyl
4,4'-Bis(3-aminophenoxy)biphenyl ID: API-28833
CAS:105112-76-3
Supplier:APIchem

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SMILES:Nc1cc(OC2(CC=C(C=C2)c2ccccc2)Oc2cccc(N)c2)ccc1	ChemMol.com
FORMULA: C24H22N2O2
MASS: 370.4437
EXACT MASS: 370.1681280
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.4290     0.8250     0.0000 
   C   4    2.1828     1.4290     0.8250     0.0000 
   O   5    2.8579     2.1828     1.4290     0.8250     0.0000 
   C   6    2.9746     2.4750     1.6500     1.4289     0.8249     0.0000 
   C   7    3.0323     2.7414     1.9687     2.0586     1.6249     0.8250 
   C   8    3.8249     3.5657     2.7920     2.8145     2.2460     1.4290 
   C   9    4.4406     4.0649     3.2499     3.0673     2.3428     1.6501 
   C  10    4.4013     3.8902     3.0673     2.6856     1.8785     1.4290 
   C  11    3.7331     3.1519     2.3428     1.8785     1.0605     0.8250 
   C  12    5.2149     4.8748     4.0648     3.8901     3.1518     2.4750 
   C  13    5.4391     5.2149     4.4405     4.4012     3.7331     2.9746 
   C  14    6.2532     6.0397     5.2651     5.2094     4.5193     3.7807 
   C  15    6.7995     6.5061     5.7035     5.5378     4.7865     4.1251 
   C  16    6.6215     6.2368     5.4162     5.1410     4.3484     3.7807 
   C  17    5.8588     5.4419     4.6185     4.3200     3.5243     2.9746 
   O  18    2.1560     1.7230     0.9191     1.0986     1.0606     0.8250 
   C  19    2.0054     1.9029     1.3166     1.8371     1.8786     1.4290 
   C  20    1.3652     1.5831     1.3776     2.1405     2.4526     2.1828 
   C  21    1.8107     2.2804     2.1973     2.9650     3.2344     2.8579 
   C  22    2.6175     3.0015     2.7558     3.4342     3.5244     2.9747 
   C  23    3.0015     3.1818     2.7258     3.2537     3.1519     2.4751 
   N  24    3.8241     3.9969     3.4983     3.9536     3.7331     2.9746 
   C  25    2.7558     2.7258     2.1212     2.5253     2.3428     1.6500 
   C  26    2.4750     1.6500     1.4290     0.8250     1.4290     2.1827 
   C  27    2.1828     1.4290     1.6501     1.4290     2.1828     2.8579 
   C  28    1.4290     0.8250     1.4290     1.6501     2.4751     2.9746 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    1.4290     0.8251     0.0000 
   C  10    1.6500     1.4290     0.8250     0.0000 
   C  11    1.4289     1.6500     1.4290     0.8250     0.0000 
   C  12    2.1827     1.4289     0.8249     1.4289     2.1827     0.0000 
   C  13    2.4750     1.6500     1.4289     2.1827     2.8578     0.8249 
   C  14    3.3000     2.4750     2.1827     2.8579     3.5961     1.4290 
   C  15    3.7807     2.9746     2.4750     2.9746     3.7807     1.6501 
   C  16    3.5962     2.8580     2.1828     2.4750     3.3000     1.4291 
   C  17    2.8579     2.1828     1.4289     1.6500     2.4750     0.8251 
   O  18    1.0606     1.8786     2.3429     2.2460     1.6249     3.1519 
   C  19    1.0986     1.8370     2.5254     2.6856     2.2460     3.2537 
   C  20    1.9218     2.6275     3.3445     3.5010     3.0077     4.0543 
   C  21    2.4118     2.9649     3.7571     4.0579     3.6731     4.3739 
   C  22    2.3356     2.6739     3.4983     3.9537     3.7332     3.9968 
   C  23    1.7231     1.9029     2.7258     3.2538     3.1519     3.1818 
   N  24    2.1560     2.0053     2.7557     3.4342     3.5243     3.0014 
   C  25    0.9191     1.3165     2.1212     2.5253     2.3428     2.7257 
   C  26    2.8705     3.6008     3.7705     3.2774     2.4526     4.5808 
   C  27    3.4466     4.2290     4.4920     4.0579     3.2344     5.3127 
   C  28    3.3937     4.2141     4.6186     4.3201     3.5243     5.4419 

              C  13      C  14      C  15      C  16      C  17      O  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.8250     0.0000 
   C  15    1.4290     0.8251     0.0000 
   C  16    1.6500     1.4290     0.8250     0.0000 
   C  17    1.4289     1.6500     1.4290     0.8250     0.0000 
   O  18    3.5243     4.3484     4.7865     4.5194     3.7332     0.0000 
   C  19    3.4342     4.2480     4.8052     4.6780     3.9537     0.8251 
   C  20    4.1723     4.9702     5.5702     5.4824     4.7709     1.4290 
   C  21    4.3385     5.0873     5.7661     5.7928     5.1476     2.1828 
   C  22    3.8241     4.5169     5.2472     5.3744     4.8068     2.4751 
   C  23    3.0015     3.7074     4.4268     4.5510     3.9969     2.1828 
   N  24    2.6175     3.2105     3.9903     4.2521     3.8240     2.8579 
   C  25    2.7557     3.5448     4.1683     4.1485     3.4982     1.4290 
   C  26    5.1479     5.9423     6.2132     5.7521     4.9272     1.9217 
   C  27    5.8291     6.6384     6.9573     6.5307     5.7062     2.4119 
   C  28    5.8588     6.6821     7.0899     6.7495     5.9354     2.3356 

              C  19      C  20      C  21      C  22      C  23      N  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    0.8250     0.0000 
   C  21    1.4289     0.8250     0.0000 
   C  22    1.6500     1.4289     0.8249     0.0000 
   C  23    1.4289     1.6500     1.4289     0.8250     0.0000 
   N  24    2.1827     2.4750     2.1827     1.4290     0.8250     0.0000 
   C  25    0.8250     1.4290     1.6500     1.4290     0.8250     1.4289 
   C  26    2.6275     2.8062     3.6231     4.1724     4.0544     4.7709 
   C  27    2.9651     2.9126     3.6741     4.3386     4.3740     5.1477 
   C  28    2.6740     2.4081     3.0880     3.8241     3.9969     4.8068 

              C  25      C  26      C  27      C  28
              --------------------------------------------
   C  25    0.0000 
   C  26    3.3445     0.0000 
   C  27    3.7572     0.8250     0.0000 
   C  28    3.4984     1.4290     0.8250     0.0000 



ATOMIC CHARGES
   N   1   -0.1279534955
   C   2    0.0921126516
   C   3    0.0550720593
   C   4    0.1438332899
   O   5   -0.4449365809
   C   6    0.2932491088
   C   7    0.1146758129
   C   8   -0.0182152301
   C   9   -0.0040964831
   C  10    0.0023326063
   C  11    0.0563649803
   C  12   -0.0003162124
   C  13   -0.0000099862
   C  14   -0.0000001237
   C  15   -0.0000000010
   C  16   -0.0000001237
   C  17   -0.0000099862
   O  18   -0.4449365809
   C  19    0.1438332899
   C  20    0.0371279693
   C  21    0.0044976508
   C  22    0.0182592747
   C  23    0.0921126516
   N  24   -0.1279534955
   C  25    0.0550720593
   C  26    0.0371279693
   C  27    0.0044976508
   C  28    0.0182592747


BOND ANGLES
   1    2    3  Npl  Car  Car    119.999
   1    2   28  Npl  Car  Car    119.999
   3    2   28  Car  Car  Car    120.002
   2    3    4  Car  Car  Car    119.999
   3    4    5  Car  Car   O3    119.999
   3    4   26  Car  Car  Car    119.999
   5    4   26   O3  Car  Car    120.002
   4    5    6  Car   O3   C3    119.999
   5    6    7   O3   C3   C3    160.002
   5    6   11   O3   C3   C2     80.001
   5    6   18   O3   C3   O3     80.003
   7    6   11   C3   C3   C2    119.997
   7    6   18   C3   C3   O3     79.999
  11    6   18   C2   C3   O3    160.004
   6    7    8   C3   C3   C2    120.004
   7    8    9   C3   C2   C2    119.996
   8    9   10   C2   C2   C2    120.000
   8    9   12   C2   C2  Car    119.998
  10    9   12   C2   C2  Car    120.003
   9   10   11   C2   C2   C2    119.997
   6   11   10   C3   C2   C2    120.006
   9   12   13   C2  Car  Car    120.007
   9   12   17   C2  Car  Car    119.998
  13   12   17  Car  Car  Car    119.995
  12   13   14  Car  Car  Car    120.008
  13   14   15  Car  Car  Car    119.996
  14   15   16  Car  Car  Car    120.000
  15   16   17  Car  Car  Car    119.997
  12   17   16  Car  Car  Car    120.003
   6   18   19   C3   O3  Car    120.000
  18   19   20   O3  Car  Car    120.000
  18   19   25   O3  Car  Car    119.996
  20   19   25  Car  Car  Car    120.004
  19   20   21  Car  Car  Car    119.997
  20   21   22  Car  Car  Car    120.007
  21   22   23  Car  Car  Car    119.996
  22   23   24  Car  Car  Npl    120.004
  22   23   25  Car  Car  Car    120.006
  24   23   25  Npl  Car  Car    119.990
  19   25   23  Car  Car  Car    119.990
   4   26   27  Car  Car  Car    120.002
  26   27   28  Car  Car  Car    119.999
   2   28   27  Car  Car  Car    119.999


TORSION ANGLES
   1    2    3    4    179.974
  28    2    3    4      0.026
   2    3    4    5    179.974
   2    3    4   26      0.026
   3    4    5    6      0.026
  26    4    5    6    179.974
   4    5    6    7      0.026
   4    5    6   11    179.974
   4    5    6   18      0.026
   5    6    7    8    179.974
  11    6    7    8      0.026
  18    6    7    8    179.974
   6    7    8    9      0.026
   7    8    9   10      0.026
   7    8    9   12    179.974
   8    9   10   11      0.026
  12    9   10   11    179.974
   9   10   11    6      0.026
   5    6   11   10    179.974
   7    6   11   10      0.026
  18    6   11   10    179.974
   8    9   12   13      0.026
   8    9   12   17    179.974
  10    9   12   13    179.974
  10    9   12   17      0.026
   9   12   13   14    179.974
  17   12   13   14      0.026
  12   13   14   15      0.026
  13   14   15   16      0.026
  14   15   16   17      0.026
  15   16   17   12      0.026
   9   12   17   16    179.974
  13   12   17   16      0.026
   5    6   18   19    179.974
   7    6   18   19      0.026
  11    6   18   19    179.974
   6   18   19   20    179.974
   6   18   19   25      0.026
  18   19   20   21    179.974
  25   19   20   21      0.026
  19   20   21   22      0.026
  20   21   22   23      0.026
  21   22   23   24    179.974
  21   22   23   25      0.026
  22   23   25   19      0.026
  24   23   25   19    179.974
  18   19   25   23    179.974
  20   19   25   23      0.026
   3    4   26   27      0.026
   5    4   26   27    179.974
   4   26   27   28      0.026
  26   27   28    2      0.026
   1    2   28   27    179.974
   3    2   28   27      0.026