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(1-methyl-2-pyridin-3-ylethyl)amine
(1-methyl-2-pyridin-3-ylethyl)amine
ID: BP-11172
CAS:71271-61-9
Supplier:BroadPharm

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SMILES:n1cc(CC(N)C)ccc1	
FORMULA: C8H12N2
MASS: 136.1943
EXACT MASS: 136.1000484
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    3.3054     0.0000 
   N   3    5.4485     2.1667     0.0000 
   C   4    2.1708     1.2435     3.3014     0.0000 
   C   5    1.2507     2.1625     4.3292     1.2543     0.0000 
   C   6    4.3333     1.2543     1.2471     2.1625     3.3096     0.0000 
   C   7    1.2500     3.7484     5.7281     2.5050     2.1654     4.5100 
   C   8    2.5050     2.1613     3.7449     1.2500     2.1676     2.4978 
   C   9    4.5100     2.1676     2.1634     2.4978     3.7521     1.2500 
   C  10    2.1654     3.3055     4.9992     2.1676     2.5000     3.7521 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.1708     0.0000 
   C   9    4.3333     2.1625     0.0000 
   C  10    1.2507     1.2543     3.3096     0.0000 



ATOMIC CHARGES
   N   1   -0.2426479244
   C   2    0.0469178522
   N   3   -0.1325587788
   C   4   -0.0015721332
   C   5    0.0946219455
   C   6    0.0962562072
   C   7    0.0988618549
   C   8   -0.0010923889
   C   9    0.0208552060
   C  10    0.0203581593


BOND ANGLES
   5    1    7  Car  Nar  Car    119.982
   4    2    6  Car   C3   C3    119.940
   2    4    5   C3  Car  Car    119.940
   2    4    8   C3  Car  Car    120.174
   5    4    8  Car  Car  Car    119.887
   1    5    4  Nar  Car  Car    120.131
   2    6    3   C3   C3   N3    120.037
   3    6    9   N3   C3   C3    120.077
   2    6    9   C3   C3   C3    119.887
   1    7   10  Nar  Car  Car    119.982
   4    8   10  Car  Car  Car    119.887
   7   10    8  Car  Car  Car    120.131


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


CHIRAL ATOMS
   5    4    8   10      0.026