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2-Amino-7-methoxy-indan-1-ol 1HCl salt
2-Amino-7-methoxy-indan-1-ol 1HCl salt ID: B204003
CAS:872785-85-8
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1ccc2c(c1OC)C(C(C2)N)O	
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    0.5315     0.0000 
   C   3    0.9206     0.5315     0.0000 
   C   4    1.0630     0.9206     0.5315     0.0000 
   C   5    0.9206     1.0630     0.9206     0.5315     0.0000 
   C   6    0.5315     0.9205     1.0630     0.9205     0.5315     0.0000 
   C   7    1.5868     1.4355     0.9711     0.5315     0.8600     1.3628 
   C   8    1.7587     1.7587     1.3843     0.8600     0.8600     1.3843 
   C   9    1.4355     1.5867     1.3628     0.8600     0.5315     0.9711 
   O  10    1.7256     1.9930     1.8518     1.3753     0.9471     1.2000 
   N  11    2.2855     2.2855     1.8861     1.3753     1.3753     1.8861 
   O  12    0.9195     1.4043     1.5913     1.4020     0.9160     0.5283 
   C  13    1.0643     1.4061     1.4044     1.0599     0.5284     0.5329 

              C   7      C   8      C   9      O  10      N  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.5315     0.0000 
   C   9    0.8600     0.5315     0.0000 
   O  10    1.3753     0.9472     0.5315     0.0000 
   N  11    0.9471     0.5315     0.9471     1.1564     0.0000 
   O  12    1.7736     1.6577     1.1501     1.1333     2.0942     0.0000 
   C  13    1.3232     1.1377     0.6204     0.6812     1.5629     0.5313 

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



ATOMIC CHARGES
   C   1    0.0366328789
   C   2    0.0027719841
   C   3   -0.0042549386
   C   4   -0.0192767924
   C   5    0.0392297331
   C   6    0.1367978249
   C   7    0.0481696399
   C   8    0.1307192168
   C   9    0.1945618964
   O  10   -0.2166240779
   N  11   -0.1295040149
   O  12   -0.4716759155
   C  13    0.2524525653


BOND ANGLES
   2    1    6  Car  Car  Car    119.995
   1    2    3  Car  Car  Car    120.004
   2    3    4  Car  Car  Car    119.991
   3    4    5  Car  Car  Car    120.004
   3    4    7  Car  Car   C3    131.990
   5    4    7  Car  Car   C3    108.005
   4    5    6  Car  Car  Car    119.995
   4    5    9  Car  Car   C3    107.995
   6    5    9  Car  Car   C3    132.010
   1    6    5  Car  Car  Car    120.010
   5    6   12  Car  Car   O3    119.615
   1    6   12  Car  Car   O3    120.375
   4    7    8  Car   C3   C3    107.993
   7    8    9   C3   C3   C3    108.002
   7    8   11   C3   C3   N3    125.999
   9    8   11   C3   C3   N3    125.999
   5    9    8  Car   C3   C3    108.004
   8    9   10   C3   C3   O3    126.006
   5    9   10  Car   C3   O3    125.990
   6   12   13  Car   O3   C3     60.383


TORSION ANGLES
   1    2    3    4      0.026
   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
   4    5    6   12    179.974
   9    5    6    1    179.974
   9    5    6   12      0.026
   5    6    1    2      0.026
  12    6    1    2    179.974
   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
   5    6   12   13      0.026
   1    6   12   13    179.974
   6    1    2    3      0.026


CHIRAL ATOMS
   6    1    2    3      0.026
   6    1    2    3      0.026