Sign In Join Free

Products Information

2-(3,4-dimethylphenoxy)ethanamine
2-(3,4-dimethylphenoxy)ethanamine
ID: BP-11178
CAS:26646-48-0
Supplier:BroadPharm

Get a quote


SMILES:c1(c(ccc(c1)OCCN)C)C	
FORMULA: C10H15NO
MASS: 165.2322
EXACT MASS: 165.1153641
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.2500     0.0000 
   C   3    1.2507     2.1654     0.0000 
   C   4    2.1654     1.2507     2.5000     0.0000 
   C   5    2.1708     2.5050     1.2543     2.1676     0.0000 
   C   6    2.5050     2.1708     2.1676     1.2543     1.2500     0.0000 
   N   7    5.7281     5.4485     4.9992     4.3292     3.7449     3.3014 
   O   8    3.3096     3.7521     2.1667     3.3083     1.2471     2.1634 
   C   9    1.2471     2.1634     2.1625     3.3055     3.3096     3.7521 
   C  10    2.1634     1.2471     3.3055     2.1625     3.7521     3.3096 
   C  11    4.5100     4.3333     3.7521     3.3096     2.4978     2.1625 
   C  12    4.3333     4.5100     3.3096     3.7521     2.1625     2.4978 

              N   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   O   8    3.3055     0.0000 
   C   9    6.9564     4.3292     0.0000 
   C  10    6.4917     4.9992     2.5000     0.0000 
   C  11    1.2471     2.1654     5.7281     5.4485     0.0000 
   C  12    2.1634     1.2507     5.4485     5.7281     1.2500     0.0000 




ATOMIC CHARGES
   C   1   -0.0227783714
   C   2   -0.0255920393
   C   3    0.0323363738
   C   4   -0.0014539886
   C   5    0.1382872795
   C   6    0.0365561512
   N   7   -0.1272888001
   O   8   -0.4738565337
   C   9    0.0308002158
   C  10    0.0306999183
   C  11    0.1564676162
   C  12    0.2258221783


BOND ANGLES
   2    1    3  Car  Car  Car    119.982
   2    1    9  Car  Car   C3    120.077
   3    1    9  Car  Car   C3    119.941
   1    2    4  Car  Car  Car    119.982
   1    2   10  Car  Car   C3    120.077
   4    2   10  Car  Car   C3    119.941
   1    3    5  Car  Car  Car    120.131
   2    4    6  Car  Car  Car    120.131
   3    5    6  Car  Car  Car    119.887
   3    5    8  Car  Car   O3    120.037
   6    5    8  Car  Car   O3    120.077
   4    6    5  Car  Car  Car    119.887
   5    8   12  Car   O3   C3    119.941
   7   11   12   N3   C3   C3    120.077
   8   12   11   O3   C3   C3    119.982


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