Sign In Join Free

Products Information

2-Amino-5-bromo-indan-1-ol 1HCl salt
2-Amino-5-bromo-indan-1-ol 1HCl salt ID: B204008
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c12c(C(C(C1)N)O)ccc(c2)Br	
FORMULA: C9H10BrNO
MASS: 228.0858
EXACT MASS: 226.9945759
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.5333     0.0000 
   C   3    0.8617     0.5336     0.0000 
   C   4    0.8630     0.8630     0.5309     0.0000 
   C   5    0.5336     0.8617     0.8583     0.5308     0.0000 
   C   6    0.9220     0.5303     0.9723     1.3860     1.3642     0.0000 
   C   7    0.5282     0.9184     1.3612     1.3843     0.9719     1.0625 
   N   8    1.3761     1.3761     0.9448     0.5292     0.9448     1.8854 
   C   9    0.9209     1.0642     1.5896     1.7620     1.4384     0.9241 
   O  10    1.3783     0.9487     0.5336     0.9494     1.3762     1.1993 
   C  11    1.0642     0.9209     1.4384     1.7620     1.5896     0.5339 
  Br  12    1.4040     1.5923     2.1168     2.2627     1.8901     1.4060 

              C   7      N   8      C   9      O  10      C  11     Br  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.8842     0.0000 
   C   9    0.5318     2.2865     0.0000 
   O  10    1.8509     1.1577     1.9958     0.0000 
   C  11    0.9204     2.2865     0.5333     1.7273     0.0000 
  Br  12    0.9208     2.7800     0.5282     2.5206     0.9183     0.0000 




ATOMIC CHARGES
   C   1   -0.0217023123
   C   2    0.0052696105
   C   3    0.1916714537
   C   4    0.1306126358
   C   5    0.0480836511
   C   6   -0.0015988977
   C   7    0.0022432397
   N   8   -0.1295054869
   C   9    0.0342359757
   O  10   -0.2167320535
   C  11    0.0064314676
  Br  12   -0.0490092837


BOND ANGLES
   2    1    5  Car  Car   C3    107.729
   2    1    7  Car  Car  Car    119.797
   5    1    7   C3  Car  Car    132.474
   1    2    3  Car  Car   C3    107.729
   1    2    6  Car  Car  Car    120.191
   3    2    6   C3  Car  Car    132.080
   2    3   10  Car   C3   O3    125.457
   2    3    4  Car   C3   C3    108.330
   4    3   10   C3   C3   O3    126.213
   5    4    8   C3   C3   N3    126.065
   3    4    5   C3   C3   C3    107.877
   3    4    8   C3   C3   N3    126.058
   1    5    4  Car   C3   C3    108.336
   2    6   11  Car  Car  Car    119.839
   1    7    9  Car  Car  Car    120.625
   7    9   12  Car  Car   Br    120.619
   7    9   11  Car  Car  Car    119.578
  11    9   12  Car  Car   Br    119.803
   6   11    9  Car  Car  Car    119.970


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


CHIRAL ATOMS
  12    9   11    6    179.974
  12    9   11    6    179.974