Sign In Join Free

Products Information

5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
ID: Cs00345
CAS:907973-40-4
Supplier:Clousem

Get a quote


SMILES:c1ccc2c(c1C)CCCC2N	
FORMULA: C11H15N
MASS: 161.2435
EXACT MASS: 161.1204495
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0461     2.6380     1.5230     0.0000 
   C   5    2.6380     3.0461     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 
   C   8    5.4913     5.2759     4.0295     2.6379     3.0460     4.5690 
   C   9    5.2759     5.4913     4.5690     3.0460     2.6379     4.0295 
   C  10    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
   C  11    2.6333     4.0245     4.5637     4.0245     2.6333     1.5177 
   N  12    5.4876     4.5664     3.0433     2.6333     4.0245     5.2712 

              C   7      C   8      C   9      C  10      C  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.5230     0.0000 
   C   9    2.6379     1.5230     0.0000 
   C  10    3.0460     2.6379     1.5230     0.0000 
   C  11    5.2712     5.4876     4.5664     3.0433     0.0000 
   N  12    1.5177     2.6333     4.0245     4.5637     6.6289     0.0000 




ATOMIC CHARGES
   C   1   -0.0045849888
   C   2   -0.0006203072
   C   3   -0.0032095627
   C   4   -0.0091857068
   C   5   -0.0287322853
   C   6   -0.0260566733
   C   7    0.1136804077
   C   8    0.0238456784
   C   9    0.0064882627
   C  10    0.0258180876
   C  11    0.0306877494
   N  12   -0.1281306617


BOND ANGLES
   2    1    6  Car  Car  Car    119.999
   1    2    3  Car  Car  Car    119.999
   2    3    4  Car  Car  Car    120.002
   3    4    5  Car  Car  Car    119.999
   3    4    7  Car  Car   C3    120.000
   5    4    7  Car  Car   C3    120.001
   4    5    6  Car  Car  Car    119.999
   4    5   10  Car  Car   C3    120.001
   6    5   10  Car  Car   C3    120.000
   1    6    5  Car  Car  Car    120.002
   5    6   11  Car  Car   C3    119.999
   1    6   11  Car  Car   C3    119.999
   4    7    8  Car   C3   C3    120.000
   4    7   12  Car   C3   N3    120.001
   8    7   12   C3   C3   N3    119.999
   7    8    9   C3   C3   C3    119.999
   8    9   10   C3   C3   C3    119.999
   5   10    9  Car   C3   C3    120.000


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


CHIRAL ATOMS
   9   10    5    6    179.974