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benzyl(trimethyl)ammonium chloride
benzyl(trimethyl)ammonium chloride ID: AN-23571
CAS:56-93-9
Supplier:AN PharmaTech Co Ltd

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SMILES:[Cl-].[N+](Cc1ccccc1)(C)(C)C	5963
FORMULA: C10H16ClN
MASS: 185.6937
EXACT MASS: 185.0971272
INTERATOMIC DISTANCES

             Cl   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    3.7640     0.0000 
   C   3    4.4106     1.0000     0.0000 
   C   4    3.2988     1.0000     2.0000     0.0000 
   C   5    4.6213     1.0000     1.4142     1.4142     0.0000 
   C   6    2.9965     1.0000     1.4142     1.4142     2.0000     0.0000 
   C   7    4.2704     1.7320     1.0000     2.6457     2.3941     1.5060 
   C   8    5.1500     2.6458     1.7321     3.6056     3.1196     2.5036 
   C   9    3.4254     2.0000     1.7320     2.6457     2.9093     1.2393 
   C  10    5.3203     3.4641     2.6458     4.3589     4.0576     3.0881 
   C  11    3.6765     3.0000     2.6457     3.6055     3.8982     2.1918 
   C  12    4.6693     3.6055     3.0000     4.3589     4.3813     2.9671 
   H  13    4.7896     1.0813     0.6200     1.9884     0.9736     1.8413 
   H  14    4.9812     1.5968     0.6200     2.5913     1.7679     1.9934 
   H  15    2.7257     1.1766     2.0939     0.6200     1.9037     1.0698 
   H  16    4.3685     1.1766     1.9037     1.0698     0.6200     2.0939 
   H  17    5.1787     1.6200     1.9038     1.9038     0.6201     2.6200 
   H  18    4.9395     1.1766     1.0698     1.9038     0.6201     2.0939 
   H  19    3.4671     1.1766     1.0697     1.9038     2.0938     0.6201 
   H  20    2.6011     1.6200     1.9038     1.9038     2.6200     0.6201 
   H  21    2.5896     1.1766     1.9037     1.0697     2.0938     0.6200 
   H  22    3.1383     1.6200     2.6200     0.6201     1.9038     1.9038 
   H  23    3.8863     1.1766     2.0938     0.6200     1.0697     1.9037 
   H  24    5.6726     2.8292     1.8397     3.8242     3.1085     2.8890 
   H  25    2.8673     1.7732     1.8396     2.2146     2.7583     0.8248 
   H  26    5.9217     4.0130     3.1408     4.9340     4.5352     3.6933 
   H  27    3.3331     3.3533     3.1407     3.8242     4.3028     2.4443 
   H  28    4.9530     4.2100     3.6200     4.9340     4.9994     3.5291 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0001     0.0000 
   C   9    1.0000     1.7321     0.0000 
   C  10    1.7321     1.0000     2.0000     0.0000 
   C  11    1.7320     2.0000     1.0000     1.7321     0.0000 
   C  12    2.0000     1.7321     1.7320     1.0001     1.0000     0.0000 
   H  13    1.5967     2.1829     2.3451     3.1512     3.2657     3.5889 
   H  14    1.0812     1.4155     2.0295     2.4059     2.8113     2.9561 
   H  15    2.5121     3.5087     2.2884     4.1517     3.1879     4.0203 
   H  16    2.8242     3.6354     3.1762     4.5352     4.1762     4.7624 
   H  17    2.9035     3.5257     3.4981     4.4985     4.4769     4.9033 
   H  18    2.0631     2.6488     2.7584     3.6233     3.7041     4.0596 
   H  19    0.8901     1.8848     0.8248     2.4900     1.8244     2.4674 
   H  20    1.6788     2.6113     1.0062     3.0021     1.7907     2.6845 
   H  21    2.1242     3.1229     1.7777     3.6933     2.6549     3.5054 
   H  22    3.2380     4.2101     3.1408     4.9341     4.0601     4.8708 
   H  23    2.9083     3.8024     3.0874     4.6403     4.0750     4.7545 
   H  24    1.4158     0.6200     2.2901     1.4158     2.6200     2.2901 
   H  25    1.4157     2.2901     0.6200     2.6200     1.4158     2.2900 
   H  26    2.2901     1.4158     2.6200     0.6200     2.2901     1.4158 
   H  27    2.2900     2.6200     1.4158     2.2901     0.6200     1.4157 
   H  28    2.6200     2.2901     2.2901     1.4158     1.4158     0.6200 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    2.2573     2.7133     0.0000 
   H  16    1.5616     2.3393     1.6639     0.0000 
   H  17    1.3473     2.1183     2.4531     0.8768     0.0000 
   H  18    0.4752     1.2440     2.2910     1.2400     0.8769     0.0000 
   H  19    1.6334     1.5477     1.6640     2.3532     2.6924     2.0000 
   H  20    2.4025     2.4210     1.4143     2.6924     3.2401     2.6924 
   H  21    2.2093     2.5140     0.5374     2.0000     2.6923     2.3532 
   H  22    2.5855     3.2097     0.8768     1.4143     2.2911     2.4532 
   H  23    1.8923     2.6146     1.2399     0.5374     1.4142     1.6640 
   H  24    2.1355     1.3414     3.8211     3.6785     3.4198     2.5617 
   H  25    2.3980     2.2859     1.7723     2.9093     3.3735     2.7426 
   H  26    3.5955     2.8161     4.7520     5.0439     4.9337     4.0576 
   H  27    3.7574     3.3700     3.3349     4.5138     4.9017     4.1741 
   H  28    4.2079     3.5650     4.5652     5.3724     5.5233     4.6791 

              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     0.8769     0.0000 
   H  22    2.4531     2.2911     1.4142     0.0000 
   H  23    2.2910     2.4531     1.6639     0.8769     0.0000 
   H  24    2.2904     3.0923     3.4950     4.4422     3.9264     0.0000 
   H  25    0.7704     0.3962     1.2393     2.6458     2.7270     2.8059 
   H  26    3.0880     3.6217     4.3027     5.5189     5.1842     1.6200 
   H  27    2.2098     1.9265     2.7990     4.2101     4.3469     3.2400 
   H  28    3.0585     3.1923     4.0402     5.4271     5.3494     2.8059 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    3.2400     0.0000 
   H  27    1.6200     2.8059     0.0000 
   H  28    2.8059     1.6200     1.6199     0.0000 



ATOMIC CHARGES
  Cl   1    0.0000000000
   N   2    0.2401210534
   C   3   -0.0048960807
   C   4   -0.0414749332
   C   5   -0.0414749332
   C   6   -0.0414749332
   C   7   -0.0028558858
   C   8   -0.0535444309
   C   9   -0.0535444309
   C  10   -0.0613204925
   C  11   -0.0613204925
   C  12   -0.0617369616
   H  13    0.0867543967
   H  14    0.0867543967
   H  15    0.0778105432
   H  16    0.0778105432
   H  17    0.0778105432
   H  18    0.0778105432
   H  19    0.0778105432
   H  20    0.0778105432
   H  21    0.0778105432
   H  22    0.0778105432
   H  23    0.0778105432
   H  24    0.0622114393
   H  25    0.0622114393
   H  26    0.0617687929
   H  27    0.0617687929
   H  28    0.0617583743


BOND ANGLES
   3    2    4   C3  N3+   C3    179.974
   3    2    5   C3  N3+   C3     90.000
   3    2    6   C3  N3+   C3     90.000
   4    2    5   C3  N3+   C3     90.000
   4    2    6   C3  N3+   C3     90.000
   5    2    6   C3  N3+   C3    179.974
   2    3    7  N3+   C3  Car    120.001
   2    3   13  N3+   C3   HC     80.004
   2    3   14  N3+   C3   HC    160.002
   7    3   13  Car   C3   HC    159.996
   7    3   14  Car   C3   HC     79.997
  13    3   14   HC   C3   HC     79.999
   2    4   15  N3+   C3   HC     90.001
   2    4   22  N3+   C3   HC    179.974
   2    4   23  N3+   C3   HC     89.999
  15    4   22   HC   C3   HC     89.995
  15    4   23   HC   C3   HC    179.974
  22    4   23   HC   C3   HC     90.005
   2    5   16  N3+   C3   HC     90.001
   2    5   17  N3+   C3   HC    179.974
   2    5   18  N3+   C3   HC     90.004
  16    5   17   HC   C3   HC     89.995
  16    5   18   HC   C3   HC    179.974
  17    5   18   HC   C3   HC     90.000
   2    6   19  N3+   C3   HC     89.996
   2    6   20  N3+   C3   HC    179.974
   2    6   21  N3+   C3   HC     89.999
  19    6   20   HC   C3   HC     90.000
  19    6   21   HC   C3   HC    179.974
  20    6   21   HC   C3   HC     90.005
   3    7    8   C3  Car  Car    119.998
   3    7    9   C3  Car  Car    120.001
   8    7    9  Car  Car  Car    120.001
   7    8   10  Car  Car  Car    119.998
   7    8   24  Car  Car   HC    120.000
  10    8   24  Car  Car   HC    120.002
   7    9   11  Car  Car  Car    120.001
   7    9   25  Car  Car   HC    119.998
  11    9   25  Car  Car   HC    120.002
   8   10   12  Car  Car  Car    119.998
   8   10   26  Car  Car   HC    120.002
  12   10   26  Car  Car   HC    120.000
   9   11   12  Car  Car  Car    120.001
   9   11   27  Car  Car   HC    120.002
  12   11   27  Car  Car   HC    119.998
  10   12   11  Car  Car  Car    120.001
  10   12   28  Car  Car   HC    119.998
  11   12   28  Car  Car   HC    120.001


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