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(R)-1-Boc-3-isopropyl-piperazine
(R)-1-Boc-3-isopropyl-piperazine ID: API-9423
CAS:928025-63-2
Supplier:APIchem

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SMILES:N1(C[C@H](NCC1)C(C)C)C(=O)OC(C)(C)C	ChemMol.com
FORMULA: C12H24N2O2
MASS: 228.3312
EXACT MASS: 228.1837780
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   N   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    4.0295     2.6379     1.5230     2.6379     4.0295     4.5690 
   C   8    4.5690     3.0460     2.6379     4.0295     5.2758     5.4913 
   C   9    5.2759     4.0295     2.6380     3.0461     4.5690     5.4913 
   C  10    1.5230     2.6379     4.0294     4.5689     4.0295     2.6379 
   O  11    2.6379     3.0460     4.5689     5.4912     5.2758     4.0295 
   O  12    2.6379     4.0295     5.2758     5.4912     4.5690     3.0460 
   C  13    4.0294     5.2758     6.6385     6.9792     6.0920     4.5689 
   C  14    4.5689     5.4912     6.9792     7.6149     6.9792     5.4912 
   C  15    5.4912     6.6386     8.0589     8.4797     7.6150     6.0920 
   C  16    5.2758     6.6386     7.9137     8.0589     6.9793     5.4912 

              C   7      C   8      C   9      C  10      O  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5230     0.0000 
   C   9    1.5230     2.6379     0.0000 
   C  10    5.2758     5.4912     6.6386     0.0000 
   O  11    5.4912     5.2758     6.9793     1.5230     0.0000 
   O  12    6.6386     6.9793     7.9138     1.5230     2.6379     0.0000 
   C  13    7.9137     8.0589     9.2641     2.6379     3.0460     1.5230 
   C  14    8.0589     7.9137     9.5111     3.0460     2.6379     2.6379 
   C  15    9.2641     9.2641    10.6610     4.0295     4.0295     3.0460 
   C  16    9.2641     9.5111    10.5517     4.0295     4.5690     2.6379 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.5230     0.0000 
   C  15    1.5230     1.5230     0.0000 
   C  16    1.5230     2.6379     1.5230     0.0000 



ATOMIC CHARGES
   N   1   -0.2431167919
   C   2    0.1140477249
   C   3    0.0926770008
   N   4   -0.2159189192
   C   5    0.1102633321
   C   6    0.1155350146
   C   7    0.0177396757
   C   8    0.0014881066
   C   9    0.0014881066
   C  10    0.4047254887
   O  11   -0.2261958694
   O  12   -0.4417873370
   C  13    0.1378299113
   C  14    0.0437415187
   C  15    0.0437415187
   C  16    0.0437415187


BOND ANGLES
   2    1    6   C3  Nam   C3    119.999
   2    1   10   C3  Nam   C2    120.000
   6    1   10   C3  Nam   C2    120.001
   1    2    3  Nam   C3   C3    120.000
   2    3    4   C3   C3   N3    120.001
   2    3    7   C3   C3   C3    120.000
   4    3    7   N3   C3   C3    119.999
   3    4    5   C3   N3   C3    120.001
   4    5    6   N3   C3   C3    120.000
   1    6    5  Nam   C3   C3    119.999
   8    7    9   C3   C3   C3    119.999
   3    7    8   C3   C3   C3    119.999
   3    7    9   C3   C3   C3    120.002
  11   10   12   O2   C2   O3    119.999
   1   10   11  Nam   C2   O2    120.001
   1   10   12  Nam   C2   O3    120.000
  10   12   13   C2   O3   C3    120.000
  12   13   14   O3   C3   C3    120.001
  12   13   15   O3   C3   C3    179.974
  12   13   16   O3   C3   C3    120.000
  14   13   15   C3   C3   C3     60.001
  14   13   16   C3   C3   C3    119.999
  15   13   16   C3   C3   C3     59.998


TORSION ANGLES
   6    1    2    3      0.026
  10    1    2    3    179.974
   1    2    3    4      0.026
   1    2    3    7    179.974
   2    3    4    5      0.026
   7    3    4    5    179.974
   3    4    5    6      0.026
   4    5    6    1      0.026
   2    1    6    5      0.026
  10    1    6    5    179.974
   2    3    7    8      0.026
   2    3    7    9    179.974
   4    3    7    8    179.974
   4    3    7    9      0.026
  11   10   12   13      0.026
   1   10   12   13    179.974
  10   12   13   14      0.026
  10   12   13   15    179.974
  10   12   13   16    179.974
   2    1   10   11      0.026
   2    1   10   12    179.974
   6    1   10   11    179.974
   6    1   10   12      0.026


CHIRAL ATOMS
   6    1   10   12      0.026