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2-Adamantanamine hydrochloride
2-Adamantanamine hydrochloride ID: API-9490
CAS:10523-68-9
Supplier:APIchem

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SMILES:Cl.NC1C2CC3CC1CC(C2)C3	ChemMol.com
FORMULA: C10H18ClN
MASS: 187.7096
EXACT MASS: 187.1127773
INTERATOMIC DISTANCES

             Cl   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    5.9563     0.0000 
   C   3    5.3922     1.5594     0.0000 
   C   4    4.1435     1.8159     1.6723     0.0000 
   C   5    3.9340     2.9085     1.6724     1.6724     0.0000 
   C   6    3.4899     3.0716     2.0062     1.5880     0.4587     0.0000 
   C   7    5.0666     1.0000     0.9655     0.9655     1.9311     2.0722 
   C   8    4.8967     2.4823     0.9657     1.9311     0.9655     1.4081 
   C   9    4.5341     2.4740     1.0863     1.6446     0.6272     1.0453 
   C  10    3.6525     2.5067     1.7511     0.8892     0.8894     0.7036 
   C  11    3.0933     2.9060     2.3699     1.1036     1.3913     1.0234 
   C  12    3.6300     3.8717     2.5551     2.5552     0.9661     0.9832 
   H  13    4.2085     1.8588     2.1682     0.6200     2.2723     2.1347 
   H  14    6.0097     1.5931     0.6200     2.2309     2.2310     2.5970 
   H  15    3.3140     3.2635     2.2089     1.7318     0.6200     0.2038 
   H  16    2.8972     3.6014     2.6220     1.9602     1.0406     0.6201 
   H  17    5.0274     0.9538     1.5822     0.9266     2.3604     2.4007 
   H  18    5.4950     2.5945     1.0530     2.4388     1.5625     2.0151 
   H  19    4.8697     3.0990     1.5626     2.4388     1.0529     1.4976 
   H  20    5.0739     2.6353     1.0838     2.1837     1.1436     1.5987 
   H  21    4.4199     3.0885     1.6388     2.1640     0.6217     1.0497 
   H  22    3.1228     3.1266     2.2788     1.4475     0.9262     0.4863 
   H  23    3.2405     2.7371     2.2788     0.9262     1.4475     1.1221 
   H  24    2.5049     3.5255     2.8991     1.7225     1.6278     1.1764 
   H  25    2.9541     3.0228     2.7897     1.2452     2.0063     1.6424 
   H  26    4.1679     4.0969     2.6482     2.9918     1.3212     1.5029 
   H  27    3.1563     4.3768     3.1359     2.9071     1.4865     1.3366 
   H  28    6.0433     0.6200     2.1430     1.9980     3.3403     3.4378 
   H  29    6.4733     0.6200     1.6093     2.3364     3.1755     3.4098 
   H  30    1.0000     5.6903     5.3911     3.9350     4.1396     3.6810 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6724     0.0000 
   C   9    1.5680     0.3838     0.0000 
   C  10    1.5191     1.5192     1.1451     0.0000 
   C  11    1.9776     2.1515     1.7711     0.6458     0.0000 
   C  12    2.8972     1.6727     1.4693     1.6828     1.9358     0.0000 
   H  13    1.2921     2.5393     2.2631     1.4336     1.4163     3.1162 
   H  14    1.3839     1.3840     1.6136     2.3711     2.9879     3.0508 
   H  15    2.2636     1.5840     1.2311     0.8428     1.0389     0.9014 
   H  16    2.6046     2.0060     1.6561     1.1069     1.0476     1.0149 
   H  17    0.6200     2.2577     2.1033     1.7459     2.0290     3.3114 
   H  18    1.9724     0.6200     1.0036     2.1271     2.7652     2.1248 
   H  19    2.2854     0.6199     0.7953     1.8548     2.4274     1.3597 
   H  20    1.8778     0.2554     0.6200     1.7643     2.3905     1.7310 
   H  21    2.1871     0.6978     0.6201     1.4793     2.0124     0.9927 
   H  22    2.1384     1.8263     1.4466     0.6200     0.5951     1.3412 
   H  23    1.8263     2.1384     1.7650     0.6199     0.1913     2.0675 
   H  24    2.5880     2.5260     2.1440     1.1503     0.6200     1.8506 
   H  25    2.2091     2.7119     2.3401     1.1951     0.6201     2.5293 
   H  26    3.1718     1.6897     1.6229     2.1646     2.5067     0.6200 
   H  27    3.3843     2.2829     2.0519     2.0185     2.0868     0.6199 
   H  28    1.4158     3.0281     2.9733     2.8076     3.0970     4.3053 
   H  29    1.4158     2.5749     2.6573     2.9222     3.3910     4.1140 
   H  30    4.8976     5.0634     4.6827     3.6509     3.0211     4.0634 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    2.6661     0.0000 
   H  15    2.2528     2.7974     0.0000 
   H  16    2.4115     3.2165     0.4251     0.0000 
   H  17    0.9112     1.9444     2.5711     2.8495     0.0000 
   H  18    3.0217     1.1703     2.1820     2.5982     2.5903     0.0000 
   H  19    3.0579     1.8863     1.6184     1.9976     2.8586     0.7970 
   H  20    2.7895     1.3994     1.7621     2.1768     2.4759     0.4221 
   H  21    2.7817     2.0813     1.1626     1.5413     2.7099     1.1421 
   H  22    1.9017     2.8924     0.4505     0.5147     2.3454     2.4444 
   H  23    1.2257     2.8924     1.1661     1.2190     1.8483     2.7434 
   H  24    1.9812     3.5188     1.0786     0.8369     2.6463     3.1453 
   H  25    1.2632     3.3914     1.6444     1.5778     2.0804     3.3134 
   H  26    3.5841     3.0508     1.4697     1.6329     3.6564     1.9781 
   H  27    3.4127     3.6529     1.1757     1.0415     3.7372     2.7447 
   H  28    1.8389     2.2131     3.6173     3.9142     1.0733     3.1906 
   H  29    2.4546     1.3977     3.6100     3.9805     1.5434     2.5364 
   H  30    3.8525     6.0087     3.5403     3.1674     4.7376     5.6815 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.4917     0.0000 
   H  21    0.4570     0.7390     0.0000 
   H  22    1.9772     2.0380     1.5336     0.0000 
   H  23    2.4597     2.3842     2.0622     0.7399     0.0000 
   H  24    2.6740     2.7416     2.2247     0.7048     0.7982     0.0000 
   H  25    3.0312     2.9589     2.6257     1.1942     0.5757     0.8601 
   H  26    1.1843     1.6544     1.0146     1.9198     2.6217     2.4665 
   H  27    1.9748     2.3501     1.6112     1.5207     2.2525     1.8110 
   H  28    3.6480     3.2003     3.5933     3.4144     2.9134     3.7113 
   H  29    3.1631     2.6752     3.2409     3.5367     3.2345     4.0034 
   H  30    5.1571     5.2728     4.7003     3.2372     3.1223     2.5401 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    3.1140     0.0000 
   H  27    2.6114     1.0215     0.0000 
   H  28    3.0902     4.5861     4.7690     0.0000 
   H  29    3.5714     4.2540     4.6620     1.0739     0.0000 
   H  30    2.6899     4.6549     3.6990     5.6767     6.2551     0.0000 




ATOMIC CHARGES
  Cl   1   -0.1453996612
   N   2   -0.3267474179
   C   3   -0.0250543814
   C   4   -0.0250543814
   C   5   -0.0401911344
   C   6   -0.0401911344
   C   7    0.0105349177
   C   8   -0.0459214269
   C   9   -0.0459214269
   C  10   -0.0459214269
   C  11   -0.0459214269
   C  12   -0.0473258661
   H  13    0.0315970283
   H  14    0.0315970283
   H  15    0.0301044952
   H  16    0.0301044952
   H  17    0.0463502794
   H  18    0.0271080184
   H  19    0.0271080184
   H  20    0.0271080184
   H  21    0.0271080184
   H  22    0.0271080184
   H  23    0.0271080184
   H  24    0.0271080184
   H  25    0.0271080184
   H  26    0.0270594692
   H  27    0.0270594692
   H  28    0.1184893466
   H  29    0.1184893466
   H  30    0.1453996612


BOND ANGLES
   7    2   28   C3   N3   HC    119.998
   7    2   29   C3   N3   HC    120.007
  28    2   29   HC   N3   HC    119.996
   7    3    8   C3   C3   C3    119.998
   7    3    9   C3   C3   C3     99.505
   7    3   14   C3   C3   HC    120.004
   8    3    9   C3   C3   C3     20.493
   8    3   14   C3   C3   HC    119.998
   9    3   14   C3   C3   HC    140.491
   7    4   10   C3   C3   C3    109.908
   7    4   11   C3   C3   C3    145.720
   7    4   13   C3   C3   HC    107.137
  10    4   11   C3   C3   C3     35.811
  10    4   13   C3   C3   HC    142.954
  11    4   13   C3   C3   HC    107.143
   8    5   10   C3   C3   C3    109.904
   8    5   12   C3   C3   C3    119.983
   8    5   15   C3   C3   HC    174.957
  10    5   12   C3   C3   C3    130.113
  10    5   15   C3   C3   HC     65.053
  12    5   15   C3   C3   HC     65.060
   9    6   11   C3   C3   C3    117.767
   9    6   12   C3   C3   C3     92.781
   9    6   16   C3   C3   HC    167.510
  11    6   12   C3   C3   C3    149.452
  11    6   16   C3   C3   HC     74.723
  12    6   16   C3   C3   HC     74.729
   2    7    3   N3   C3   C3    104.996
   2    7    4   N3   C3   C3    135.000
   2    7   17   N3   C3   HC     67.495
   3    7    4   C3   C3   C3    120.004
   3    7   17   C3   C3   HC    172.491
   4    7   17   C3   C3   HC     67.505
   3    8    5   C3   C3   C3    119.998
   3    8   18   C3   C3   HC     79.998
   3    8   19   C3   C3   HC    159.998
   5    8   18   C3   C3   HC    160.004
   5    8   19   C3   C3   HC     80.004
  18    8   19   HC   C3   HC     80.000
   3    9    6   C3   C3   C3    140.491
   3    9   20   C3   C3   HC     73.176
   3    9   21   C3   C3   HC    146.337
   6    9   20   C3   C3   HC    146.333
   6    9   21   C3   C3   HC     73.172
  20    9   21   HC   C3   HC     73.161
   4   10    5   C3   C3   C3    140.188
   4   10   22   C3   C3   HC    146.547
   4   10   23   C3   C3   HC     73.277
   5   10   22   C3   C3   HC     73.265
   5   10   23   C3   C3   HC    146.535
  22   10   23   HC   C3   HC     73.270
   4   11    6   C3   C3   C3     96.514
   4   11   24   C3   C3   HC    175.655
   4   11   25   C3   C3   HC     87.831
   6   11   24   C3   C3   HC     87.832
   6   11   25   C3   C3   HC    175.656
  24   11   25   HC   C3   HC     87.824
   5   12    6   C3   C3   C3     27.202
   5   12   26   C3   C3   HC    110.928
   5   12   27   C3   C3   HC    138.132
   6   12   26   C3   C3   HC    138.131
   6   12   27   C3   C3   HC    110.929
  26   12   27   HC   C3   HC    110.940


TORSION ANGLES
  28    2    7    3    179.974
  28    2    7    4      0.026
  28    2    7   17      0.026
  29    2    7    3      0.026
  29    2    7    4    179.974
  29    2    7   17    179.974
   8    3    7    2    179.974
   8    3    7    4      0.026
   8    3    7   17    179.974
   9    3    7    2    179.974
   9    3    7    4      0.026
   9    3    7   17    179.974
  14    3    7    2      0.026
  14    3    7    4    179.974
  14    3    7   17      0.026
   7    3    8    5      0.026
   7    3    8   18    179.974
   7    3    8   19    179.974
   9    3    8    5      0.026
   9    3    8   18    179.974
   9    3    8   19    179.974
  14    3    8    5    179.974
  14    3    8   18      0.026
  14    3    8   19      0.026
   7    3    9    6      0.026
   7    3    9   20    179.974
   7    3    9   21    179.974
   8    3    9    6    179.974
   8    3    9   20      0.026
   8    3    9   21      0.026
  14    3    9    6    179.974
  14    3    9   20      0.026
  14    3    9   21      0.026
  10    4    7    2    179.974
  10    4    7    3      0.026
  10    4    7   17    179.974
  11    4    7    2    179.974
  11    4    7    3      0.026
  11    4    7   17    179.974
  13    4    7    2      0.026
  13    4    7    3    179.974
  13    4    7   17      0.026
   7    4   10    5      0.026
   7    4   10   22    179.974
   7    4   10   23    179.974
  11    4   10    5    179.974
  11    4   10   22      0.026
  11    4   10   23      0.026
  13    4   10    5    179.974
  13    4   10   22      0.026
  13    4   10   23      0.026
   7    4   11    6      0.026
   7    4   11   24    179.974
   7    4   11   25    179.974
  10    4   11    6      0.026
  10    4   11   24    179.974
  10    4   11   25    179.974
  13    4   11    6    179.974
  13    4   11   24      0.026
  13    4   11   25      0.026
  10    5    8    3      0.026
  10    5    8   18    179.974
  10    5    8   19    179.974
  12    5    8    3    179.974
  12    5    8   18      0.026
  12    5    8   19      0.026
  15    5    8    3      0.026
  15    5    8   18    179.974
  15    5    8   19    179.974
   8    5   10    4      0.026
   8    5   10   22    179.974
   8    5   10   23    179.974
  12    5   10    4    179.974
  12    5   10   22      0.026
  12    5   10   23      0.026
  15    5   10    4    179.974
  15    5   10   22      0.026
  15    5   10   23      0.026
   8    5   12    6    179.974
   8    5   12   26      0.026
   8    5   12   27    179.974
  10    5   12    6      0.026
  10    5   12   26    179.974
  10    5   12   27      0.026
  15    5   12    6      0.026
  15    5   12   26    179.974
  15    5   12   27      0.026
  11    6    9    3      0.026
  11    6    9   20    179.974
  11    6    9   21    179.974
  12    6    9    3    179.974
  12    6    9   20      0.026
  12    6    9   21      0.026
  16    6    9    3    179.974
  16    6    9   20      0.026
  16    6    9   21      0.026
   9    6   11    4      0.026
   9    6   11   24    179.974
   9    6   11   25    179.974
  12    6   11    4    179.974
  12    6   11   24      0.026
  12    6   11   25      0.026
  16    6   11    4    179.974
  16    6   11   24      0.026
  16    6   11   25      0.026
   9    6   12    5      0.026
   9    6   12   26      0.026
   9    6   12   27    179.974
  11    6   12    5    179.974
  11    6   12   26    179.974
  11    6   12   27      0.026
  16    6   12    5    179.974
  16    6   12   26    179.974
  16    6   12   27      0.026


CHIRAL ATOMS
  16    6   12   27      0.026
  16    6   12   27      0.026
  16    6   12   27      0.026
  16    6   12   27      0.026
  16    6   12   27      0.026