Sign In Join Free

Products Information

6-Amino-1-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt
6-Amino-1-methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol 1HCl salt ID: B204031
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:c1cc(c2c(c1)C(C(CCC2)N)O)OC	
FORMULA: C12H17NO2
MASS: 207.2689
EXACT MASS: 207.1259288
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    1.7955     1.5540     0.9915     0.6000     1.0812     1.6127 
   C   8    2.2558     2.1071     1.5748     1.0812     1.3482     1.9436 
   C   9    2.3726     2.3726     1.9297     1.3482     1.3482     1.9297 
   C  10    2.1071     2.2558     1.9436     1.3482     1.0812     1.5748 
   C  11    1.5540     1.7955     1.6127     1.0812     0.6000     0.9915 
   O  12    1.6762     2.0786     2.0463     1.5947     1.0160     1.0797 
   N  13    2.5674     2.7935     2.5269     1.9378     1.5948     1.9904 
   O  14    1.5870     1.0387     0.5998     1.0394     1.5875     1.7998 
   C  15    1.6685     1.1594     1.3871     1.9859     2.3202     2.1917 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.6000     0.0000 
   C   9    1.0812     0.6000     0.0000 
   C  10    1.3482     1.0812     0.6000     0.0000 
   C  11    1.3482     1.3482     1.0812     0.6000     0.0000 
   O  12    1.9377     1.9377     1.5947     1.0160     0.5999     0.0000 
   N  13    1.9378     1.5948     1.0161     0.6000     1.0161     1.1207 
   O  14    1.1204     1.7068     2.1922     2.3469     2.1191     2.6035 
   C  15    2.3003     2.9003     3.3098     3.3176     2.9200     3.2374 

              N  13      O  14      C  15
              ---------------------------------
   N  13    0.0000 
   O  14    2.9459     0.0000 
   C  15    3.8875     1.2500     0.0000 



ATOMIC CHARGES
   C   1    0.0028475832
   C   2    0.0365534751
   C   3    0.1344639265
   C   4    0.0102253828
   C   5    0.0080734592
   C   6   -0.0019064785
   C   7    0.0292344555
   C   8    0.0063521824
   C   9    0.0223277095
   C  10    0.1263095062
   C  11    0.1914299804
   O  12   -0.2167425152
   N  13   -0.1298643351
   O  14   -0.4717553908
   C  15    0.2524510587


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   4    3   14  Car  Car   O3    120.068
   2    3    4  Car  Car  Car    119.999
   2    3   14  Car  Car   O3    119.934
   3    4    5  Car  Car  Car    120.001
   3    4    7  Car  Car   C3    111.427
   5    4    7  Car  Car   C3    128.572
   4    5    6  Car  Car  Car    120.001
   4    5   11  Car  Car   C3    128.572
   6    5   11  Car  Car   C3    111.427
   1    6    5  Car  Car  Car    119.999
   4    7    8  Car   C3   C3    128.573
   7    8    9   C3   C3   C3    128.566
   8    9   10   C3   C3   C3    128.578
   9   10   11   C3   C3   C3    128.566
   9   10   13   C3   C3   N3    115.717
  11   10   13   C3   C3   N3    115.717
   5   11   10  Car   C3   C3    128.573
  10   11   12   C3   C3   O3    115.712
   5   11   12  Car   C3   O3    115.715
   3   14   15  Car   O3   C3     90.067


TORSION ANGLES
  14    3    4    5    179.974
  14    3    4    7      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   3    4    5   11    179.974
   7    4    5    6    179.974
   7    4    5   11      0.026
   4    5    6    1      0.026
  11    5    6    1    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
   7    8    9   10      0.026
   8    9   10   11      0.026
   8    9   10   13    179.974
   9   10   11    5      0.026
   9   10   11   12    179.974
  13   10   11    5    179.974
  13   10   11   12      0.026
  10   11    5    4      0.026
  10   11    5    6    179.974
  12   11    5    4    179.974
  12   11    5    6      0.026
   4    3   14   15    179.974
   2    3   14   15      0.026
   6    1    2    3      0.026
   1    2    3    4      0.026
   1    2    3   14    179.974


CHIRAL ATOMS
   1    2    3   14    179.974
   1    2    3   14    179.974