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4,4'-biphenyldiamine dihydrochloride

4,4'-biphenyldiamine dihydrochloride ID: BBC/468
CAS:531-85-1
Supplier:Aronis

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SMILES:c1(c2ccc(N)cc2)ccc(N)cc1.Cl.Cl	
FORMULA: C12H14Cl2N2
MASS: 257.1590
EXACT MASS: 256.0534038
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3209     0.0000 
   C   3    1.3385     2.3040     0.0000 
   C   4    2.2978     1.3277     3.5210     0.0000 
   C   5    1.3277     2.2978     2.3041     2.6625     0.0000 
   C   6    2.3040     1.3385     2.6625     2.3041     3.5210     0.0000 
   C   7    2.6666     3.9875     2.3076     4.7971     2.3013     4.8001 
   C   8    3.9834     2.6625     4.7962     2.2978     4.7932     2.3040 
   N   9    3.9958     5.3167     3.5210     6.0961     3.5169     6.0985 
   N  10    5.3167     3.9958     6.0985     3.5169     6.0961     3.5210 
   C  11    2.3148     3.5210     1.3333     4.6125     2.6621     3.9958 
   C  12    3.5169     2.3085     4.6125     1.3333     3.9958     2.6621 
   C  13    2.3085     3.5169     2.6621     3.9958     1.3333     4.6125 
   C  14    3.5210     2.3148     3.9958     2.6621     4.6125     1.3333 
  Cl  15    4.3454     4.3092     3.4375     5.5547     5.6114     3.3442 
  Cl  16    3.2554     3.2899     4.5369     2.4988     2.4060     4.5868 

              C   7      C   8      N   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    6.6500     0.0000 
   N   9    1.3292     7.9792     0.0000 
   N  10    7.9833     1.3333     9.3125     0.0000 
   C  11    1.3344     6.0985     2.3040     7.4119     0.0000 
   C  12    6.1002     1.3215     7.4099     2.2978     5.8059     0.0000 
   C  13    1.3235     6.0961     2.2978     7.4099     2.3041     5.3291 
   C  14    6.1025     1.3323     7.4119     2.3040     5.3291     2.3041 
  Cl  15    5.4908     5.3425     6.4091     6.2341     4.1786     5.9888 
  Cl  16    4.5579     4.6780     5.5820     5.7228     5.0679     3.4350 

              C  13      C  14     Cl  15     Cl  16
              --------------------------------------------
   C  13    0.0000 
   C  14    5.8059     0.0000 
  Cl  15    6.0936     4.0243     0.0000 
  Cl  16    3.2998     5.1569     7.4820     0.0000 



ATOMIC CHARGES
   C   1    0.0000862234
   C   2    0.0000862234
   C   3    0.0013835040
   C   4    0.0013835040
   C   5    0.0013835040
   C   6    0.0013835040
   C   7    0.0890924398
   C   8    0.0890924398
   N   9   -0.1280572714
   N  10   -0.1280572714
   C  11    0.0180558001
   C  12    0.0180558001
   C  13    0.0180558001
   C  14    0.0180558001
  Cl  15    0.0000000000
  Cl  16    0.0000000000


BOND ANGLES
   2    1    3  Car  Car  Car    120.076
   2    1    5  Car  Car  Car    120.347
   3    1    5  Car  Car  Car    119.577
   1    2    4  Car  Car  Car    120.347
   1    2    6  Car  Car  Car    120.076
   4    2    6  Car  Car  Car    119.577
   1    3   11  Car  Car  Car    120.076
   2    4   12  Car  Car  Car    120.347
   1    5   13  Car  Car  Car    120.347
   2    6   14  Car  Car  Car    120.076
   9    7   13  Npl  Car  Car    120.036
  11    7   13  Car  Car  Car    120.196
   9    7   11  Npl  Car  Car    119.768
  10    8   14  Npl  Car  Car    119.615
  12    8   14  Car  Car  Car    120.503
  10    8   12  Npl  Car  Car    119.883
   3   11    7  Car  Car  Car    119.768
   4   12    8  Car  Car  Car    119.883
   5   13    7  Car  Car  Car    120.036
   6   14    8  Car  Car  Car    119.615


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