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Products Information

2-methyl-Quinoline
2-methyl-Quinoline ID: B187339
CAS:91-63-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c2c(ccc1C)cccc2	
FORMULA: C10H9N
MASS: 143.1852
EXACT MASS: 143.0734993
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8254     0.0000 
   C   3    0.8192     1.4251     0.0000 
   C   4    1.4316     0.8250     1.6529     0.0000 
   C   5    1.6542     1.4321     1.4347     0.8305     0.0000 
   C   6    1.4321     1.6517     0.8333     1.4333     0.8254     0.0000 
   C   7    1.4250     0.8233     2.1746     1.4280     2.1856     2.4750 
   C   8    2.1833     1.4280     2.4762     0.8233     1.4333     2.1859 
   C   9    1.4250     2.1793     0.8233     2.4762     2.1842     1.4311 
   C  10    2.1777     1.4250     2.8500     1.6466     2.4771     2.9738 
   C  11    2.4720     1.6466     2.9705     1.4250     2.1851     2.8583 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.6500     0.0000 
   C   9    2.8500     3.2995     0.0000 
   C  10    0.8233     1.4280     3.5878     0.0000 
   C  11    1.4280     0.8233     3.7754     0.8250     0.0000 



ATOMIC CHARGES
   N   1   -0.2496583822
   C   2    0.0808809995
   C   3    0.0593369777
   C   4    0.0176762023
   C   5    0.0027047680
   C   6    0.0147476248
   C   7    0.0190843408
   C   8    0.0014967005
   C   9    0.0520884831
   C  10    0.0015444538
   C  11    0.0000978316


BOND ANGLES
   2    1    3  Car  Nar  Car    120.113
   1    2    4  Nar  Car  Car    120.321
   1    2    7  Nar  Car  Car    119.611
   4    2    7  Car  Car  Car    120.069
   1    3    6  Nar  Car  Car    120.137
   1    3    9  Nar  Car   C3    120.365
   6    3    9  Car  Car   C3    119.498
   2    4    8  Car  Car  Car    120.069
   2    4    5  Car  Car  Car    119.782
   5    4    8  Car  Car  Car    120.150
   4    5    6  Car  Car  Car    119.897
   3    6    5  Car  Car  Car    119.750
   2    7   10  Car  Car  Car    119.863
   4    8   11  Car  Car  Car    119.863
   7   10   11  Car  Car  Car    120.069
   8   11   10  Car  Car  Car    120.069


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