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1-Benzyl-4-Aminopiperidine Dihydrochloride
1-Benzyl-4-Aminopiperidine Dihydrochloride ID: CHH15528
CAS:50541-93-1
Supplier:ChemiK Co.,Ltd.

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SMILES:N1(CCC(CC1)N)Cc1ccccc1.Cl.Cl	
FORMULA: C12H20Cl2N2
MASS: 263.2066
EXACT MASS: 262.1003540
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.5712     0.0000 
   C   3    0.9893     0.5711     0.0000 
   C   4    1.1423     0.9892     0.5711     0.0000 
   C   5    0.9893     1.1423     0.9892     0.5711     0.0000 
   C   6    0.5711     0.9893     1.1423     0.9893     0.5712     0.0000 
   N   7    1.7134     1.5111     0.9892     0.5711     0.9892     1.5111 
   C   8    0.5711     0.9893     1.5111     1.7134     1.5111     0.9892 
   C   9    0.9892     1.5111     1.9785     2.0593     1.7134     1.1422 
   C  10    1.1422     1.7134     2.0593     1.9785     1.5111     0.9892 
   C  11    1.7134     2.2847     2.6174     2.4896     1.9786     1.5111 
   C  12    2.0593     2.6174     3.0222     2.9678     2.4896     1.9785 
   C  13    1.9785     2.4896     2.9678     3.0222     2.6174     2.0593 
   C  14    1.5111     1.9786     2.4896     2.6174     2.2847     1.7134 
   H  15    2.0594     1.7134     1.1423     0.9893     1.5111     1.9786 
  Cl  16    2.6174     2.2846     1.7134     1.5111     1.9785     2.4896 
   H  17    3.0222     2.6173     2.0593     1.9785     2.4895     2.9678 
  Cl  18    3.5669     3.1800     2.6174     2.4896     2.9678     3.4743 

              N   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    2.2846     0.0000 
   C   9    2.6173     0.5711     0.0000 
   C  10    2.4895     0.9892     0.5711     0.0000 
   C  11    2.9678     1.5111     0.9893     0.5712     0.0000 
   C  12    3.4742     1.7134     1.1423     0.9893     0.5711     0.0000 
   C  13    3.5668     1.5111     0.9893     1.1423     0.9892     0.5711 
   C  14    3.1800     0.9893     0.5712     0.9893     1.1423     0.9892 
   H  15    0.5712     2.6174     3.0222     2.9678     3.4743     3.9571 
  Cl  16    0.9893     3.1800     3.5668     3.4742     3.9571     4.4609 
   H  17    1.5111     3.5668     3.9980     3.9570     4.4609     4.9463 
  Cl  18    1.9786     4.1187     4.5334     4.4609     4.9464     5.4485 

              C  13      C  14      H  15     Cl  16      H  17     Cl  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.5711     0.0000 
   H  15    3.9981     3.5669     0.0000 
  Cl  16    4.5334     4.1187     0.5711     0.0000 
   H  17    4.9792     4.5334     0.9892     0.5711     0.0000 
  Cl  18    5.5080     5.0766     1.5111     0.9893     0.5712     0.0000 




ATOMIC CHARGES
   N   1   -0.2688690250
   C   2    0.0738651788
   C   3    0.0363837895
   C   4    0.0945961453
   C   5    0.0363837895
   C   6    0.0738651788
   N   7   -0.1328193324
   C   8    0.0991473695
   C   9   -0.0061415932
   C  10   -0.0029175369
   C  11   -0.0002787537
   C  12   -0.0000189196
   C  13   -0.0002787537
   C  14   -0.0029175369
   H  15    0.1453996612
  Cl  16   -0.1453996612
   H  17    0.1453996612
  Cl  18   -0.1453996612


BOND ANGLES
   6    1    8   C3   N3   C3    120.004
   2    1    6   C3   N3   C3    119.999
   2    1    8   C3   N3   C3    119.998
   1    2    3   N3   C3   C3    119.998
   2    3    4   C3   C3   C3    120.004
   3    4    5   C3   C3   C3    120.004
   3    4    7   C3   C3   N3    120.004
   5    4    7   C3   C3   N3    119.993
   4    5    6   C3   C3   C3    119.998
   1    6    5   N3   C3   C3    119.999
   1    8    9   N3   C3  Car    119.993
   8    9   10   C3  Car  Car    120.004
   8    9   14   C3  Car  Car    119.998
  10    9   14  Car  Car  Car    119.999
   9   10   11  Car  Car  Car    119.999
  10   11   12  Car  Car  Car    119.998
  11   12   13  Car  Car  Car    120.004
  12   13   14  Car  Car  Car    120.004
   9   14   13  Car  Car  Car    119.998


TORSION ANGLES
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   7    4    5    6    179.974
   4    5    6    1      0.026
   8    1    6    5    179.974
   2    1    6    5      0.026
   1    8    9   10      0.026
   1    8    9   14    179.974
   8    9   10   11    179.974
  14    9   10   11      0.026
   9   10   11   12      0.026
  10   11   12   13      0.026
  11   12   13   14      0.026
  12   13   14    9      0.026
   8    9   14   13    179.974
  10    9   14   13      0.026
   6    1    8    9      0.026
   2    1    8    9    179.974
   6    1    2    3      0.026
   8    1    2    3    179.974