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4-Methyl-1-piperazineethanamine
4-Methyl-1-piperazineethanamine ID: API-42909
CAS:934-98-5
Supplier:APIchem

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SMILES:N1(CCN(CC1)C)CCN	ChemMol.com
FORMULA: C7H17N3
MASS: 143.2300
EXACT MASS: 143.1422476
INTERATOMIC DISTANCES

              N   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.0000     0.0000 
   N   3    2.6458     4.5826     0.0000 
   C   4    1.0001     1.7321     3.0000     0.0000 
   C   5    1.0000     1.7320     3.4641     1.7321     0.0000 
   C   6    1.7321     1.0001     4.0000     1.0000     2.0000     0.0000 
   C   7    1.7320     1.0000     4.3589     2.0000     1.0000     1.7321 
   C   8    1.0000     3.0000     1.7321     1.7321     1.7320     2.6458 
   C   9    3.0000     1.0000     5.5678     2.6458     2.6457     1.7321 
   C  10    1.7321     3.6056     1.0000     2.0000     2.6458     3.0000 
   H  11    1.0812     2.3451     3.1022     2.0295     0.6200     2.5068 
   H  12    1.5968     2.0295     3.8918     2.3452     0.6200     2.5069 
   H  13    1.5968     2.0295     3.1671     0.6199     2.3451     1.0812 
   H  14    1.0813     2.3451     2.4267     0.6200     2.0295     1.5967 
   H  15    2.3451     1.0813     4.5875     1.5967     2.5068     0.6200 
   H  16    2.0295     1.5968     3.9399     1.0812     2.5068     0.6199 
   H  17    2.0295     1.5968     4.5429     2.5069     1.0812     2.3452 
   H  18    2.3451     1.0812     4.9779     2.5068     1.5967     2.0295 
   H  19    1.5967     3.5889     1.4156     2.3451     2.1829     3.2657 
   H  20    1.0812     2.9560     2.1829     2.0295     1.4155     2.8113 
   H  21    3.0634     1.1766     5.6972     2.9083     2.5121     2.1115 
   H  22    3.6200     1.6200     6.1810     3.2380     3.2380     2.2901 
   H  23    3.0634     1.1766     5.5055     2.5121     2.9083     1.5201 
   H  24    1.4156     3.1102     1.5967     1.4332     2.4059     2.4267 
   H  25    2.1829     3.8982     1.0812     2.1943     3.1512     3.1671 
   H  26    3.1408     5.0104     0.6200     3.3533     4.0130     4.3433 
   H  27    2.8292     4.8212     0.6201     3.3533     3.5191     4.3433 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.6457     0.0000 
   C   9    1.7320     4.0000     0.0000 
   C  10    3.4641     1.0001     4.5826     0.0000 
   H  11    1.5967     1.4155     3.2657     2.4059     0.0000 
   H  12    1.0812     2.1829     2.8113     3.1513     0.7971     0.0000 
   H  13    2.5068     2.1829     2.8113     2.1943     2.6462     2.9532 
   H  14    2.5068     1.4156     3.2657     1.4332     2.1561     2.6463 
   H  15    2.0295     3.2657     1.4156     3.5889     3.0556     2.9499 
   H  16    2.3451     2.8113     2.1829     2.9560     2.9498     3.0556 
   H  17    0.6200     2.8113     2.1829     3.7220     1.5278     0.7846 
   H  18    0.6200     3.2657     1.4155     4.0761     2.1652     1.5278 
   H  19    3.1512     0.6200     4.5875     1.0813     1.7320     2.5292 
   H  20    2.4059     0.6199     3.9399     1.5968     0.9350     1.7321 
   H  21    1.5200     4.0478     0.6200     4.7390     3.1164     2.5410 
   H  22    2.2901     4.6200     0.6200     5.1927     3.8563     3.3547 
   H  23    2.1114     4.0478     0.6200     4.5067     3.5193     3.1810 
   H  24    3.1022     1.0813     4.0630     0.6200     2.3121     2.9753 
   H  25    3.8917     1.5968     4.8385     0.6199     2.9752     3.6918 
   H  26    4.8708     2.2901     5.9770     1.4158     3.6870     4.4691 
   H  27    4.4726     1.8397     5.8193     1.4158     3.0690     3.8654 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    1.5278     2.1652     0.0000 
   H  16    0.7846     1.5278     0.7971     0.0000 
   H  17    3.0556     2.9499     2.6463     2.9532     0.0000 
   H  18    2.9498     3.0556     2.1561     2.6462     0.7971     0.0000 
   H  19    2.7656     1.9785     3.8856     3.4207     3.2325     3.7661 
   H  20    2.5702     1.8727     3.4207     3.0944     2.4433     3.0114 
   H  21    3.1810     3.5194     1.9301     2.6421     1.8217     1.0254 
   H  22    3.3547     3.8564     1.8777     2.6726     2.6726     1.8777 
   H  23    2.5410     3.1165     1.0254     1.8217     2.6421     1.9300 
   H  24    1.5763     0.8348     3.0000     2.3438     3.4440     3.6944 
   H  25    2.2154     1.5763     3.7118     3.0000     4.2097     4.4882 
   H  26    3.4185     2.7467     4.9034     4.2029     5.0943     5.4857 
   H  27    3.6052     2.8284     4.9496     4.3562     4.5738     5.0909 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    4.6007     3.8923     0.0000 
   H  22    5.2069     4.5534     0.8768     0.0000 
   H  23    4.6575     4.0822     1.2400     0.8768     0.0000 
   H  24    1.4515     1.6888     4.2696     4.6637     3.9441     0.0000 
   H  25    1.6888     2.2063     5.0623     5.4322     4.6866     0.7971 
   H  26    2.0285     2.7806     6.1521     6.5813     5.8625     1.9203 
   H  27    1.3414     2.1355     5.8870     6.4384     5.8173     2.0354 

              H  25      H  26      H  27
              ---------------------------------
   H  25    0.0000 
   H  26    1.2046     0.0000 
   H  27    1.6620     1.0739     0.0000 



ATOMIC CHARGES
   N   1   -0.2987135535
   N   2   -0.3029174284
   N   3   -0.3287703372
   C   4    0.0117466777
   C   5    0.0117466777
   C   6    0.0114229295
   C   7    0.0114229295
   C   8    0.0113099183
   C   9   -0.0126693714
   C  10    0.0058811145
   H  11    0.0439041803
   H  12    0.0439041803
   H  13    0.0439041803
   H  14    0.0439041803
   H  15    0.0438937012
   H  16    0.0438937012
   H  17    0.0438937012
   H  18    0.0438937012
   H  19    0.0438899252
   H  20    0.0438899252
   H  21    0.0390627845
   H  22    0.0390627845
   H  23    0.0390627845
   H  24    0.0434320102
   H  25    0.0434320102
   H  26    0.1182583464
   H  27    0.1182583464


BOND ANGLES
   4    1    5   C3   N3   C3    120.001
   4    1    8   C3   N3   C3    119.998
   5    1    8   C3   N3   C3    120.001
   6    2    7   C3   N3   C3    120.001
   6    2    9   C3   N3   C3    119.998
   7    2    9   C3   N3   C3    120.001
  10    3   26   C3   N3   HC    120.002
  10    3   27   C3   N3   HC    119.997
  26    3   27   HC   N3   HC    120.001
   1    4    6   N3   C3   C3    119.998
   1    4   13   N3   C3   HC    160.007
   1    4   14   N3   C3   HC     79.998
   6    4   13   C3   C3   HC     79.995
   6    4   14   C3   C3   HC    160.004
  13    4   14   HC   C3   HC     80.009
   1    5    7   N3   C3   C3    120.001
   1    5   11   N3   C3   HC     79.995
   1    5   12   N3   C3   HC    160.002
   7    5   11   C3   C3   HC    160.004
   7    5   12   C3   C3   HC     79.997
  11    5   12   HC   C3   HC     80.007
   2    6    4   N3   C3   C3    119.998
   2    6   15   N3   C3   HC     79.998
   2    6   16   N3   C3   HC    160.007
   4    6   15   C3   C3   HC    160.004
   4    6   16   C3   C3   HC     79.995
  15    6   16   HC   C3   HC     80.009
   2    7    5   N3   C3   C3    120.001
   2    7   17   N3   C3   HC    160.002
   2    7   18   N3   C3   HC     79.995
   5    7   17   C3   C3   HC     79.997
   5    7   18   C3   C3   HC    160.004
  17    7   18   HC   C3   HC     80.007
   1    8   10   N3   C3   C3    119.998
   1    8   19   N3   C3   HC    160.004
   1    8   20   N3   C3   HC     79.995
  10    8   19   C3   C3   HC     79.998
  10    8   20   C3   C3   HC    160.007
  19    8   20   HC   C3   HC     80.009
   2    9   21   N3   C3   HC     90.000
   2    9   22   N3   C3   HC    179.974
   2    9   23   N3   C3   HC     90.000
  21    9   22   HC   C3   HC     90.000
  21    9   23   HC   C3   HC    179.974
  22    9   23   HC   C3   HC     90.000
   3   10    8   N3   C3   C3    119.998
   3   10   24   N3   C3   HC    160.004
   3   10   25   N3   C3   HC     79.995
   8   10   24   C3   C3   HC     79.998
   8   10   25   C3   C3   HC    160.007
  24   10   25   HC   C3   HC     80.009


TORSION ANGLES
   5    1    4    6      0.026
   5    1    4   13    179.974
   5    1    4   14    179.974
   8    1    4    6    179.974
   8    1    4   13      0.026
   8    1    4   14      0.026
   4    1    5    7      0.026
   4    1    5   11    179.974
   4    1    5   12    179.974
   8    1    5    7    179.974
   8    1    5   11      0.026
   8    1    5   12      0.026
   4    1    8   10      0.026
   4    1    8   19    179.974
   4    1    8   20    179.974
   5    1    8   10    179.974
   5    1    8   19      0.026
   5    1    8   20      0.026
   7    2    6    4      0.026
   7    2    6   15    179.974
   7    2    6   16    179.974
   9    2    6    4    179.974
   9    2    6   15      0.026
   9    2    6   16      0.026
   6    2    7    5      0.026
   6    2    7   17    179.974
   6    2    7   18    179.974
   9    2    7    5    179.974
   9    2    7   17      0.026
   9    2    7   18      0.026
   6    2    9   21    179.974
   6    2    9   22    180.000
   6    2    9   23      0.026
   7    2    9   21      0.026
   7    2    9   22    180.000
   7    2    9   23    179.974
  26    3   10    8    179.974
  26    3   10   24      0.026
  26    3   10   25      0.026
  27    3   10    8      0.026
  27    3   10   24    179.974
  27    3   10   25    179.974
   1    4    6    2      0.026
   1    4    6   15    179.974
   1    4    6   16    179.974
  13    4    6    2    179.974
  13    4    6   15      0.026
  13    4    6   16      0.026
  14    4    6    2    179.974
  14    4    6   15      0.026
  14    4    6   16      0.026
   1    5    7    2      0.026
   1    5    7   17    179.974
   1    5    7   18    179.974
  11    5    7    2    179.974
  11    5    7   17      0.026
  11    5    7   18      0.026
  12    5    7    2    179.974
  12    5    7   17      0.026
  12    5    7   18      0.026
   1    8   10    3    179.974
   1    8   10   24      0.026
   1    8   10   25      0.026
  19    8   10    3      0.026
  19    8   10   24    179.974
  19    8   10   25    179.974
  20    8   10    3      0.026
  20    8   10   24    179.974
  20    8   10   25    179.974