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(R)-1-Boc-2-Hydroxymethyl-piperazine
(R)-1-Boc-2-Hydroxymethyl-piperazine ID: API-9422
CAS:169448-87-7
Supplier:APIchem

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SMILES:N1([C@H](CNCC1)CO)C(=O)OC(C)(C)C	ChemMol.com
FORMULA: C10H20N2O3
MASS: 216.2774
EXACT MASS: 216.1473925
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    2.6379     1.5230     2.6379     4.0295     4.5690     4.0295 
   O   8    3.0461     2.6380     4.0295     5.2759     5.4913     4.5690 
   C   9    1.5230     2.6379     4.0295     4.5690     4.0295     2.6379 
   O  10    2.6379     4.0295     5.2758     5.4913     4.5690     3.0460 
   O  11    2.6380     3.0461     4.5690     5.4913     5.2759     4.0295 
   C  12    4.0295     4.5690     6.0920     6.9793     6.6386     5.2758 
   C  13    4.5690     5.4913     6.9792     7.6150     6.9793     5.4912 
   C  14    5.4913     6.0921     7.6150     8.4798     8.0590     6.6386 
   C  15    5.2759     5.4913     6.9793     8.0590     7.9138     6.6386 

              C   7      O   8      C   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.5230     0.0000 
   C   9    3.0460     2.6379     0.0000 
   O  10    4.5690     4.0295     1.5230     0.0000 
   O  11    2.6379     1.5230     1.5230     2.6379     0.0000 
   C  12    4.0295     2.6379     2.6379     3.0460     1.5230     0.0000 
   C  13    5.2758     4.0295     3.0460     2.6379     2.6379     1.5230 
   C  14    5.4913     4.0295     4.0295     4.0295     3.0460     1.5230 
   C  15    4.5690     3.0460     4.0295     4.5690     2.6379     1.5230 

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



ATOMIC CHARGES
   N   1   -0.2421498469
   C   2    0.1288150221
   C   3    0.1112638834
   N   4   -0.2144076761
   C   5    0.1103176943
   C   6    0.1155681443
   C   7    0.2032873435
   O   8   -0.2185165075
   C   9    0.4047501377
   O  10   -0.2261955350
   O  11   -0.4417871284
   C  12    0.1378299125
   C  13    0.0437415187
   C  14    0.0437415187
   C  15    0.0437415187


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


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


CHIRAL ATOMS
   6    1    9   11    179.974