Sign In Join Free

Products Information

2-Amino-6-methoxy-indan-1-ol 1HCl salt
2-Amino-6-methoxy-indan-1-ol 1HCl salt ID: B203994
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1(ccc2c(c1)C(C(C2)N)O)OC	
FORMULA: C10H13NO2
MASS: 179.2157
EXACT MASS: 179.0946287
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   C   7    1.7913     1.6205     1.0963     0.6001     0.9709     1.5385 
   C   8    1.9854     1.9854     1.5628     0.9709     0.9709     1.5628 
   C   9    1.6205     1.7913     1.5385     0.9709     0.6001     1.0963 
   O  10    1.9480     2.2499     2.0904     1.5526     1.0692     1.3547 
   N  11    2.5801     2.5801     2.1293     1.5527     1.5527     2.1293 
   O  12    0.5994     1.0368     1.5856     1.7993     1.5880     1.0405 
   C  13    1.7955     1.9849     2.5842     2.9496     2.8257     2.2905 

              C   7      C   8      C   9      O  10      N  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.6000     0.0000 
   C   9    0.9708     0.6000     0.0000 
   O  10    1.5525     1.0692     0.6000     0.0000 
   N  11    1.0692     0.6000     1.0692     1.3053     0.0000 
   O  12    2.3897     2.5541     2.1337     2.3613     3.1407     0.0000 
   C  13    3.5497     3.7809     3.3826     3.5957     4.3744     1.2500 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.1384776508
   C   2    0.0365600960
   C   3   -0.0013407722
   C   4   -0.0219939635
   C   5    0.0082505852
   C   6    0.0347993642
   C   7    0.0480704518
   C   8    0.1306138122
   C   9    0.1917690450
   O  10   -0.2167306753
   N  11   -0.1295054818
   O  12   -0.4714364956
   C  13    0.2524663833


BOND ANGLES
   6    1   12  Car  Car   O3    120.350
   2    1    6  Car  Car  Car    120.001
   2    1   12  Car  Car   O3    119.649
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    119.999
   3    4    5  Car  Car  Car    120.001
   3    4    7  Car  Car   C3    132.002
   5    4    7  Car  Car   C3    107.997
   4    5    6  Car  Car  Car    120.001
   4    5    9  Car  Car   C3    107.997
   6    5    9  Car  Car   C3    132.002
   1    6    5  Car  Car  Car    119.999
   4    7    8  Car   C3   C3    108.006
   7    8    9   C3   C3   C3    107.994
   7    8   11   C3   C3   N3    126.003
   9    8   11   C3   C3   N3    126.003
   5    9    8  Car   C3   C3    108.006
   8    9   10   C3   C3   O3    125.997
   5    9   10  Car   C3   O3    125.997
   1   12   13  Car   O3   C3    150.351


TORSION ANGLES
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   3    4    5    9    179.974
   7    4    5    6    179.974
   7    4    5    9      0.026
   4    5    6    1      0.026
   9    5    6    1    179.974
   5    6    1   12    179.974
   5    6    1    2      0.026
   3    4    7    8    179.974
   5    4    7    8      0.026
   4    7    8    9      0.026
   4    7    8   11    179.974
   7    8    9    5      0.026
   7    8    9   10    179.974
  11    8    9    5    179.974
  11    8    9   10      0.026
   8    9    5    4      0.026
   8    9    5    6    179.974
  10    9    5    4    179.974
  10    9    5    6      0.026
   6    1   12   13    179.974
   2    1   12   13      0.026
   6    1    2    3      0.026
  12    1    2    3    179.974
   1    2    3    4      0.026


CHIRAL ATOMS
   1    2    3    4      0.026
   1    2    3    4      0.026