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4,4'-(1,1-cyclohexanediyl)dianiline

4,4'-(1,1-cyclohexanediyl)dianiline ID: BBC/386
CAS:3282-99-3
Supplier:Aronis

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SMILES:C1(c2ccc(N)cc2)(c2ccc(N)cc2)CCCCC1	
FORMULA: C18H22N2
MASS: 266.3807
EXACT MASS: 266.1782987
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3287     0.0000 
   C   3    1.3256     2.3000     0.0000 
   C   4    2.3168     1.3484     3.5309     0.0000 
   C   5    2.3031     1.3251     2.6646     2.3122     0.0000 
   C   6    2.3013     2.6606     1.3291     4.0091     2.3166     0.0000 
   C   7    2.2875     3.5018     1.3158     4.6044     3.9804     2.2884 
   C   8    3.9755     4.7809     2.6498     6.0976     4.6041     2.2875 
   C   9    4.0079     2.6792     4.8145     2.3175     2.3167     4.6333 
   N  10    5.3310     4.0022     6.1072     3.5257     3.5264     5.8179 
   N  11    5.3063     6.0828     3.9806     7.4103     5.7987     3.5065 
   C  12    3.4974     4.5875     2.2875     5.7915     4.7887     2.6456 
   C  13    3.5316     2.3175     4.0016     2.6833     1.3371     3.5335 
   C  14    3.5070     3.9806     2.2956     5.3290     3.5236     1.3200 
   C  15    3.5248     2.3126     4.6126     1.3272     2.6613     4.8083 
   C  16    1.3158     1.3126     2.6415     1.3329     2.6377     3.5007 
   C  17    1.3267     2.6554     1.3209     3.5275     3.5160     2.6500 
   C  18    2.2957     2.6500     3.5071     2.2910     3.9751     4.5970 
   C  19    2.3020     3.5144     2.6584     3.9894     4.6050     3.9875 
   C  20    2.6625     3.5157     3.5209     3.5105     4.7911     4.7971 

              C   7      C   8      C   9      N  10      N  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.2978     0.0000 
   C   9    6.0993     6.9209     0.0000 
   N  10    7.4029     8.0950     1.3231     0.0000 
   N  11    3.5121     1.3308     8.1046     9.2251     0.0000 
   C  12    1.3194     1.3375     7.0434     8.3060     2.3092     0.0000 
   C  13    5.3175     5.7953     1.3484     2.3127     6.9125     6.0930 
   C  14    2.6458     1.3194     5.8153     6.9251     2.3000     2.2977 
   C  15    5.7880     7.0341     1.3377     2.3103     8.3059     6.9001 
   C  16    3.4934     5.2913     3.5236     4.7960     6.6221     4.7619 
   C  17    1.3149     3.5016     5.3346     6.6577     4.7766     2.6342 
   C  18    3.9719     6.0744     4.6084     5.7943     7.3841     5.2913 
   C  19    2.3024     4.6002     6.1057     7.4092     5.7869     3.5016 
   C  20    3.5197     5.7936     5.8025     7.0362     7.0318     4.7824 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.6125     0.0000 
   C  15    2.3210     6.0987     0.0000 
   C  16    3.5175     4.7678     2.6597     0.0000 
   C  17    4.8039     3.5010     4.7980     2.2959     0.0000 
   C  18    4.7982     5.7777     3.5097     1.3375     2.6571     0.0000 
   C  19    5.8075     4.7861     5.3165     2.6571     1.3375     2.2959 
   C  20    5.8066     5.7917     4.7862     2.3101     2.3163     1.3242 

              C  19      C  20
              ----------------------
   C  19    0.0000 
   C  20    1.3350     0.0000 



ATOMIC CHARGES
   C   1    0.0376873016
   C   2   -0.0189425806
   C   3   -0.0189425806
   C   4   -0.0025932445
   C   5   -0.0025932445
   C   6   -0.0025932445
   C   7   -0.0025932445
   C   8    0.0890728299
   C   9    0.0890728299
   N  10   -0.1280575260
   N  11   -0.1280575260
   C  12    0.0177430522
   C  13    0.0177430522
   C  14    0.0177430522
   C  15    0.0177430522
   C  16    0.0081121410
   C  17    0.0081121410
   C  18    0.0006509454
   C  19    0.0006509454
   C  20    0.0000418481


BOND ANGLES
   2    1    3  Car   C3  Car    120.108
   2    1   16  Car   C3   C3     59.511
   2    1   17  Car   C3   C3    179.846
   3    1   16  Car   C3   C3    179.619
   3    1   17  Car   C3   C3     59.738
  16    1   17   C3   C3   C3    120.643
   1    2    4   C3  Car  Car    119.855
   1    2    5   C3  Car  Car    120.416
   4    2    5  Car  Car  Car    119.729
   1    3    6   C3  Car  Car    120.194
   1    3    7   C3  Car  Car    119.993
   6    3    7  Car  Car  Car    119.813
   2    4   15  Car  Car  Car    119.608
   2    5   13  Car  Car  Car    121.038
   3    6   14  Car  Car  Car    120.126
   3    7   12  Car  Car  Car    120.463
  11    8   12  Npl  Car  Car    119.855
  12    8   14  Car  Car  Car    119.721
  11    8   14  Npl  Car  Car    120.424
  10    9   13  Npl  Car  Car    119.919
  13    9   15  Car  Car  Car    119.555
  10    9   15  Npl  Car  Car    120.525
   7   12    8  Car  Car  Car    119.724
   5   13    9  Car  Car  Car    119.234
   6   14    8  Car  Car  Car    120.154
   4   15    9  Car  Car  Car    120.837
   1   16   18   C3   C3   C3    119.813
   1   17   19   C3   C3   C3    119.545
  16   18   20   C3   C3   C3    120.436
  17   19   20   C3   C3   C3    120.164
  18   20   19   C3   C3   C3    119.399


TORSION ANGLES
   4    2    1    3    179.974
   4    2    1   16      0.026
   4    2    1   17    179.974
   5    2    1    3      0.026
   5    2    1   16    179.974
   5    2    1   17      0.026
   6    3    1    2      0.026
   6    3    1   16      0.026
   6    3    1   17    179.974
   7    3    1    2    179.974
   7    3    1   16    179.974
   7    3    1   17      0.026
  15    4    2    1    179.974
  15    4    2    5      0.026
  13    5    2    1    179.974
  13    5    2    4      0.026
  14    6    3    1    179.974
  14    6    3    7      0.026
  12    7    3    1    179.974
  12    7    3    6      0.026
  11    8   12    7    179.974
  14    8   12    7      0.026
  10    9   13    5    179.974
  15    9   13    5      0.026
   8   12    7    3      0.026
   9   13    5    2      0.026
   8   14    6    3      0.026
   9   15    4    2      0.026
  18   16    1    2    179.974
  18   16    1    3    179.974
  18   16    1   17      0.026
  19   17    1    2    179.974
  19   17    1    3    179.974
  19   17    1   16      0.026
  20   18   16    1      0.026
  20   19   17    1      0.026
  18   20   19   17      0.026
  19   20   18   16      0.026
   6   14    8   12      0.026
   6   14    8   11    179.974
   4   15    9   13      0.026
   4   15    9   10    179.974