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1-(2-DIMETHYLAMINOETHYL)-PIPERAZINE
1-(2-DIMETHYLAMINOETHYL)-PIPERAZINE
ID: BP-10526
CAS:3644-18-6
Supplier:BroadPharm

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SMILES:N1(CCN(C)C)CCNCC1	
FORMULA: C8H19N3
MASS: 157.2566
EXACT MASS: 157.1578976
INTERATOMIC DISTANCES

              N   1      N   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.7375     0.0000 
   C   3    1.3750     4.1125     0.0000 
   N   4    3.4509     6.0764     2.2359     0.0000 
   C   5    2.2359     4.7418     1.3678     1.3750     0.0000 
   C   6    1.3722     2.3691     2.3799     3.8889     2.5147     0.0000 
   C   7    1.3722     2.3691     2.3799     4.6108     3.5297     2.3750 
   C   8    2.3727     1.3701     3.6290     5.8097     4.6038     2.7402 
   C   9    2.3727     1.3701     3.6290     5.2552     3.8806     1.3667 
   C  10    4.5788     7.0318     3.5092     1.3679     2.3459     4.7086 
   C  11    3.8340     6.5712     2.4594     1.3717     2.3481     4.6557 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.3667     0.0000 
   C   9    2.7402     2.3750     0.0000 
   C  10    5.8366     6.9492     6.0329     0.0000 
   C  11    4.6938     6.0213     5.9917     2.4292     0.0000 



ATOMIC CHARGES
   N   1   -0.2690342175
   N   2   -0.2151151279
   C   3    0.0897059819
   N   4   -0.2691151829
   C   5    0.0897050648
   C   6    0.0911886464
   C   7    0.0911886464
   C   8    0.1060330334
   C   9    0.1060330334
   C  10    0.0897050610
   C  11    0.0897050610


BOND ANGLES
   9    2    8   C3   N3   C3    120.167
   2    8    7   N3   C3   C3    119.917
   8    2    9   C3   N3   C3    120.167
   2    9    6   N3   C3   C3    119.917


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


CHIRAL ATOMS
   N     1 is chiral: counterclockwise
   N     4 is chiral: counterclockwise