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N-hexylcyclopentanamine

N-hexylcyclopentanamine ID: BBC/414
CAS:20007-10-7
Supplier:Aronis

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SMILES:N(C1CCCC1)CCCCCC	
FORMULA: C11H23N
MASS: 169.3070
EXACT MASS: 169.1830497
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.3349     0.0000 
   C   3    1.3271     2.3022     0.0000 
   C   4    2.3806     1.3374     2.7793     0.0000 
   C   5    2.3778     1.3261     3.5590     2.1465     0.0000 
   C   6    2.3031     3.5219     1.3336     4.1127     4.6786     0.0000 
   C   7    5.7950     6.9131     4.6109     7.1773     8.1472     3.5158 
   C   8    4.6027     5.7979     3.5216     6.2284     6.9778     2.2996 
   C   9    3.5174     4.6109     2.3087     4.9344     5.8514     1.3249 
   C  10    6.9138     8.0976     5.8065     8.4487     9.2885     4.6108 
   C  11    3.4410     2.1458     4.4227     2.1460     1.3160     5.6673 
   C  12    3.4489     2.1560     4.0677     1.3250     2.1465     5.3948 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.3333     0.0000 
   C   9    2.3022     1.3269     0.0000 
   C  10    1.3335     2.3112     3.5218     0.0000 
   C  11    9.0222     7.9364     6.7241    10.2290     0.0000 
   C  12    8.5020     7.5462     6.2574     9.7733     1.3336     0.0000 




ATOMIC CHARGES
   N   1   -0.2194643709
   C   2    0.0727762307
   C   3    0.0886434800
   C   4    0.0173819660
   C   5    0.0173819660
   C   6    0.0188042774
   C   7    0.0000005910
   C   8    0.0000469340
   C   9    0.0014770677
   C  10    0.0000000024
   C  11    0.0014759279
   C  12    0.0014759279


BOND ANGLES
   2    1    3   C3   N3   C3    119.733
   1    2    4   N3   C3   C3    125.960
   1    2    5   N3   C3   C3    126.651
   4    2    5   C3   C3   C3    107.389
   1    3    6   N3   C3   C3    119.905
   2    4   12   C3   C3   C3    108.149
   2    5   11   C3   C3   C3    108.610
   3    6    9   C3   C3   C3    120.549
   8    7   10   C3   C3   C3    120.143
   7    8    9   C3   C3   C3    119.866
   6    9    8   C3   C3   C3    120.266
   5   11   12   C3   C3   C3    108.209
   4   12   11   C3   C3   C3    107.643


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