Sign In Join Free

Products Information

1H-pyrrolo[3,2-b]pyridin-5-amine HCl
1H-pyrrolo[3,2-b]pyridin-5-amine HCl ID: B187273
CAS:207849-66-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:n1c2cc[nH]c2ccc1N	
FORMULA: C7H7N3
MASS: 133.1506
EXACT MASS: 133.0639972
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7468     0.0000 
   N   3    1.9063     1.1975     0.0000 
   C   4    1.3570     0.7432     1.2000     0.0000 
   C   5    1.9337     1.1979     0.7377     0.7426     0.0000 
   C   6    0.7432     1.2875     2.2196     2.0058     2.4561     0.0000 
   C   7    1.2885     0.7375     0.7432     1.2003     1.1977     1.4874 
   C   8    1.4875     1.2864     1.3666     1.9092     1.9385     1.2843 
   N   9    1.2875     1.9678     2.9609     2.6407     3.1603     0.7426 
   C  10    1.2915     1.4879     2.0117     2.2212     2.4593     0.7458 

              C   7      C   8      N   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.7504     0.0000 
   N   9    2.2301     1.9610     0.0000 
   C  10    1.2917     0.7391     1.2864     0.0000 



ATOMIC CHARGES
   N   1   -0.2258722313
   C   2    0.1019264927
   N   3   -0.2422642643
   C   4    0.0412996168
   C   5    0.1004827069
   C   6    0.1697643184
   C   7    0.0990772317
   C   8    0.0236064583
   N   9   -0.1072045098
   C  10    0.0391841806


BOND ANGLES
   2    1    6  Car  Nar  Car    119.556
   1    2    4  Nar  Car  Car    131.220
   1    2    7  Nar  Car  Car    120.469
   4    2    7  Car  Car  Car    108.311
   5    3    7  Car  Nar  Car    107.954
   2    4    5  Car  Car  Car    107.461
   3    5    4  Nar  Car  Car    108.324
   1    6    9  Nar  Car  Npl    120.110
   1    6   10  Nar  Car  Car    120.301
   9    6   10  Npl  Car  Car    119.589
   2    7    3  Car  Car  Nar    107.949
   3    7    8  Nar  Car  Car    132.395
   2    7    8  Car  Car  Car    119.655
   7    8   10  Car  Car  Car    120.273
   6   10    8  Car  Car  Car    119.746


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