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Products Information

6-methyl-Quinoline
6-methyl-Quinoline ID: B187341
CAS:91-62-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c2c(cc(cc2)C)ccc1	
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    1.4316     0.0000 
   C   3    0.8254     0.8250     0.0000 
   C   4    2.1833     0.8233     1.4280     0.0000 
   C   5    1.4250     1.4280     0.8233     1.6500     0.0000 
   C   6    2.4720     1.4250     1.6466     0.8233     1.4280     0.0000 
   C   7    2.1777     1.6466     1.4250     1.4280     0.8233     0.8250 
   C   8    0.8192     1.6529     1.4251     2.4762     2.1746     2.9705 
   C   9    1.6542     0.8305     1.4321     1.4333     2.1856     2.1851 
   C  10    3.2989     2.1811     2.4735     1.4292     2.1829     0.8269 
   C  11    1.4321     1.4333     1.6517     2.1859     2.4750     2.8583 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.8500     0.0000 
   C   9    2.4771     1.4347     0.0000 
   C  10    1.4301     3.7794     2.8625     0.0000 
   C  11    2.9738     0.8333     0.8254     3.5992     0.0000 



ATOMIC CHARGES
   N   1   -0.2438381079
   C   2    0.0173872112
   C   3    0.0812862424
   C   4   -0.0027589852
   C   5    0.0187747893
   C   6   -0.0217530559
   C   7   -0.0027114881
   C   8    0.0988264724
   C   9    0.0030800066
   C  10    0.0310279181
   C  11    0.0206789971


BOND ANGLES
   3    1    8  Car  Nar  Car    120.113
   3    2    4  Car  Car  Car    120.069
   3    2    9  Car  Car  Car    119.782
   4    2    9  Car  Car  Car    120.150
   1    3    2  Nar  Car  Car    120.321
   2    3    5  Car  Car  Car    120.069
   1    3    5  Nar  Car  Car    119.611
   2    4    6  Car  Car  Car    119.863
   3    5    7  Car  Car  Car    119.863
   7    6   10  Car  Car   C3    119.923
   4    6    7  Car  Car  Car    120.069
   4    6   10  Car  Car   C3    120.009
   5    7    6  Car  Car  Car    120.069
   1    8   11  Nar  Car  Car    120.137
   2    9   11  Car  Car  Car    119.897
   8   11    9  Car  Car  Car    119.750


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