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(R)-2-(Boc-amino)-1-propanol
(R)-2-(Boc-amino)-1-propanol
ID: BP-12093
CAS:106391-86-0
Supplier:BroadPharm

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SMILES:C(=O)(N[C@@H](CO)C)OC(C)(C)C	
FORMULA: C8H17NO3
MASS: 175.2255
EXACT MASS: 175.1208434
INTERATOMIC DISTANCES

              C   1      N   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2507     0.0000 
   O   3    1.2508     2.1667     0.0000 
   O   4    1.2500     2.1654     2.1655     0.0000 
   C   5    2.1667     3.3096     1.2507     2.5014     0.0000 
   C   6    2.1666     1.2507     3.3096     2.5013     4.3333     0.0000 
   O   7    3.7484     2.4978     4.5060     4.5056     5.7281     2.1634 
   C   8    1.8842     3.1319     1.7687     1.5507     1.2507     3.8633 
   C   9    3.3055     4.5060     2.4978     3.3055     1.2471     5.4485 
   C  10    2.9946     3.9020     1.7687     3.6385     1.2508     5.0753 
   C  11    3.3054     2.1625     4.3292     3.7484     5.4485     1.2471 
   C  12    2.5013     2.1654     3.7521     2.1666     4.5100     1.2500 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    5.6278     0.0000 
   C   9    6.9564     1.7647     0.0000 
   C  10    6.0892     2.5014     1.7677     0.0000 
   C  11    1.2500     5.0832     6.6110     6.0549     0.0000 
   C  12    3.3061     3.7120     5.4485     5.4799     2.1634     0.0000 




ATOMIC CHARGES
   C   1    0.4209255837
   N   2   -0.1677976748
   O   3   -0.4407969685
   O   4   -0.2245668178
   C   5    0.1378771162
   C   6    0.1316298943
   O   7   -0.2185007645
   C   8    0.0437421792
   C   9    0.0437421792
   C  10    0.0437421792
   C  11    0.2036690414
   C  12    0.0263340523


BOND ANGLES
   2    1    3  Nam   C2   O3    120.037
   2    1    4  Nam   C2   O2    119.982
   3    1    4   O3   C2   O2    119.980
   1    2    6   C2  Nam   C3    120.035
   1    3    5   C2   O3   C3    120.037
   3    5    8   O3   C3   C3     90.000
   3    5    9   O3   C3   C3    179.906
   3    5   10   O3   C3   C3     89.998
   8    5    9   C3   C3   C3     89.906
   8    5   10   C3   C3   C3    179.974
   9    5   10   C3   C3   C3     90.096
   2    6   11  Nam   C3   C3    119.941
   2    6   12  Nam   C3   C3    119.982
  11    6   12   C3   C3   C3    120.077
   6   11    7   C3   C3   O3    120.077


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


CHIRAL ATOMS
   7   11    6   12    179.974