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N,N-dimethylnaphthalen-1-amine
N,N-dimethylnaphthalen-1-amine ID: AN-24103
CAS:86-56-6
Supplier:AN PharmaTech Co Ltd

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SMILES:N(c1c2c(ccc1)cccc2)(C)C	6848
FORMULA: C12H13N
MASS: 171.2383
EXACT MASS: 171.1047994
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.7320     0.0000 
   C   3    1.0000     1.0000     0.0000 
   C   4    2.6457     1.0000     1.7320     0.0000 
   C   5    1.7320     1.7320     1.0000     2.0000     0.0000 
   C   6    2.0073     1.0417     1.7603     1.7761     2.6799     0.0000 
   C   7    3.0000     1.7320     2.0000     1.0000     1.7320     2.6903 
   C   8    3.5080     1.7760     2.6902     1.0416     3.0415     2.0693 
   C   9    2.6457     2.0000     1.7320     1.7320     1.0000     3.0416 
   C  10    1.0000     2.6457     1.7320     3.4641     2.0000     3.0072 
   C  11    1.0000     2.0000     1.7320     3.0000     2.6457     1.7165 
   C  12    3.0490     1.8002     2.7088     2.0694     3.5322     1.0417 
   C  13    3.6691     2.0694     3.0694     1.8002     3.6767     1.8002 
   H  14    1.8396     2.2900     1.4157     2.6199     0.6200     3.1709 
   H  15    1.7865     1.4559     1.8711     2.3301     2.8621     0.6200 
   H  16    3.6200     2.2901     2.6200     1.4158     2.2901     3.1851 
   H  17    4.0532     2.3300     3.1811     1.4559     3.3912     2.6893 
   H  18    3.1407     2.6199     2.2900     2.2900     1.4158     3.6615 
   H  19    1.1766     2.5559     2.1115     3.5506     2.9083     2.3364 
   H  20    1.6200     2.3716     2.2901     3.3533     3.2380     1.8108 
   H  21    1.1766     1.4956     1.5200     2.4825     2.5121     1.0968 
   H  22    1.1766     2.5121     1.5200     3.1995     1.4956     3.0793 
   H  23    1.6199     3.2379     2.2900     4.0130     2.3716     3.6271 
   H  24    1.1766     2.9083     2.1115     3.8121     2.5559     3.0615 
   H  25    3.4079     2.3594     3.2062     2.6893     4.0814     1.4559 
   H  26    4.2751     2.6893     3.6893     2.3594     4.2806     2.3594 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7603     0.0000 
   C   9    1.0000     2.6799     0.0000 
   C  10    3.6055     4.4033     3.0000     0.0000 
   C  11    3.6055     3.6459     3.4641     1.7320     0.0000 
   C  12    3.0694     1.8001     3.6767     4.0488     2.6754     0.0000 
   C  13    2.7088     1.0416     3.5322     4.6477     3.5165     1.0416 
   H  14    2.2900     3.6615     1.4158     1.7732     2.8291     4.0793 
   H  15    3.1812     2.6893     3.3913     2.7518     1.2251     1.4560 
   H  16    0.6200     1.8548     1.4158     4.2100     4.2100     3.4192 
   H  17    1.8710     0.6200     2.8620     4.9111     4.2482     2.3593 
   H  18    1.4157     3.1709     0.6200     3.3533     4.0130     4.2811 
   H  19    4.0751     4.2459     3.8121     1.5200     0.6201     3.2839 
   H  20    4.0601     3.8611     4.0130     2.2901     0.6201     2.6145 
   H  21    3.1879     3.0541     3.1995     2.1114     0.6200     2.0738 
   H  22    3.1879     4.1960     2.4825     0.6200     2.1114     4.1039 
   H  23    4.0601     4.9784     3.3533     0.6200     2.2900     4.6687 
   H  24    4.0751     4.6842     3.5506     0.6201     1.5200     4.0882 
   H  25    3.6893     2.3593     4.2806     4.3962     2.8697     0.6200 
   H  26    3.2062     1.4558     4.0814     5.2588     4.0699     1.4558 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    4.2811     0.0000 
   H  15    2.3594     3.2668     0.0000 
   H  16    2.8838     2.8059     3.7143     0.0000 
   H  17    1.4559     4.0041     3.3093     1.7531     0.0000 
   H  18    4.0793     1.6200     4.0041     1.6199     3.2668     0.0000 
   H  19    4.1365     2.9659     1.8284     4.6901     4.8418     4.3170 
   H  20    3.5623     3.4457     1.2071     4.6469     4.4783     4.5801 
   H  21    2.8966     2.8250     0.6541     3.7712     3.6634     3.7869 
   H  22    4.5751     1.1752     2.9450     3.7712     4.6546     2.7824 
   H  23    5.2584     2.0000     3.3605     4.6468     5.4673     3.6200 
   H  24    4.8000     2.3826     2.6910     4.6901     5.2289     3.9391 
   H  25    1.4558     4.6048     1.6658     4.0334     2.8788     4.8890 
   H  26    0.6200     4.8890     2.8788     3.2971     1.6658     4.6048 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8769     0.0000 
   H  21    1.2400     0.8768     0.0000 
   H  22    2.0379     2.7145     2.3520     0.0000 
   H  23    1.9720     2.8059     2.7144     0.8768     0.0000 
   H  24    1.1120     1.9721     2.0379     1.2400     0.8768     0.0000 
   H  25    3.4436     2.6729     2.3197     4.5213     5.0112     4.3565 
   H  26    4.6879     4.0628     3.4527     5.1945     5.8715     5.3942 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    1.6658     0.0000 



ATOMIC CHARGES
   N   1   -0.3355377299
   C   2    0.0031313563
   C   3    0.0370059174
   C   4   -0.0161176191
   C   5   -0.0400640389
   C   6   -0.0522622692
   C   7   -0.0539152053
   C   8   -0.0539717930
   C   9   -0.0594193874
   C  10    0.0003754559
   C  11    0.0003754559
   C  12   -0.0611090683
   C  13   -0.0611650957
   H  14    0.0636190362
   H  15    0.0624196907
   H  16    0.0623631353
   H  17    0.0623624297
   H  18    0.0618333922
   H  19    0.0427538378
   H  20    0.0427538378
   H  21    0.0427538378
   H  22    0.0427538378
   H  23    0.0427538378
   H  24    0.0427538378
   H  25    0.0617770099
   H  26    0.0617763002


BOND ANGLES
   3    1   10  Car  Npl   C3    120.001
   3    1   11  Car  Npl   C3    120.001
  10    1   11   C3  Npl   C3    119.999
   3    2    4  Car  Car  Car    120.001
   3    2    6  Car  Car  Car    119.116
   4    2    6  Car  Car  Car    120.884
   1    3    2  Npl  Car  Car    120.001
   1    3    5  Npl  Car  Car    120.001
   2    3    5  Car  Car  Car    119.999
   2    4    7  Car  Car  Car    120.001
   2    4    8  Car  Car  Car    120.879
   7    4    8  Car  Car  Car    119.120
   3    5    9  Car  Car  Car    120.001
   3    5   14  Car  Car   HC    119.998
   9    5   14  Car  Car   HC    120.002
   2    6   12  Car  Car  Car    119.556
   2    6   15  Car  Car   HC    120.218
  12    6   15  Car  Car   HC    120.225
   4    7    9  Car  Car  Car    119.999
   4    7   16  Car  Car   HC    120.001
   9    7   16  Car  Car   HC    120.001
   4    8   13  Car  Car  Car    119.566
   4    8   17  Car  Car   HC    120.214
  13    8   17  Car  Car   HC    120.221
   5    9    7  Car  Car  Car    120.001
   5    9   18  Car  Car   HC    120.002
   7    9   18  Car  Car   HC    119.998
   1   10   22  Npl   C3   HC     90.001
   1   10   23  Npl   C3   HC    179.974
   1   10   24  Npl   C3   HC     90.004
  22   10   23   HC   C3   HC     90.000
  22   10   24   HC   C3   HC    179.974
  23   10   24   HC   C3   HC     89.995
   1   11   19  Npl   C3   HC     90.004
   1   11   20  Npl   C3   HC    179.974
   1   11   21  Npl   C3   HC     90.001
  19   11   20   HC   C3   HC     90.000
  19   11   21   HC   C3   HC    179.974
  20   11   21   HC   C3   HC     89.995
   6   12   13  Car  Car  Car    119.560
   6   12   25  Car  Car   HC    120.215
  13   12   25  Car  Car   HC    120.225
   8   13   12  Car  Car  Car    119.555
   8   13   26  Car  Car   HC    120.220
  12   13   26  Car  Car   HC    120.225


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