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L-Homophenylalanine hydrochloride
L-Homophenylalanine hydrochloride ID: API-28855
CAS:105382-09-0
Supplier:APIchem

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SMILES:C(=O)([C@H](CCc1ccccc1)N)O.Cl	ChemMol.com
FORMULA: C10H14ClNO2
MASS: 215.6767
EXACT MASS: 215.0713064
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      O   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.7500     0.0000 
   C   3    0.7334     1.2822     0.0000 
   C   4    1.2792     1.4787     0.7411     0.0000 
   O   5    0.7426     1.2900     1.2833     1.9612     0.0000 
   N   6    1.2771     1.9621     0.7417     1.2822     1.4838     0.0000 
   C   7    1.9588     2.2233     1.2875     0.7447     2.5708     1.4822 
  Cl   8    2.7370     3.0358     3.2885     3.9820     2.0209     3.2832 
   C   9    2.5625     2.6665     1.9612     1.2833     3.2306     2.2218 
   C  10    2.6723     2.5625     2.2275     1.4864     3.3998     2.6755 
   C  11    3.2329     3.3997     2.5750     1.9685     3.8583     2.6757 
   C  12    3.4038     3.2343     2.9738     2.2326     4.1366     3.4027 
   C  13    3.8500     3.9200     3.2343     2.5708     4.5118     3.3971 
   C  14    3.9240     3.8500     3.4024     2.6780     4.6344     3.7097 
   H  15    2.0365     2.4233     2.5543     3.2581     1.3031     2.5464 

              C   7     Cl   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
  Cl   8    4.5687     0.0000 
   C   9    0.7396     5.2469     0.0000 
   C  10    1.2894     5.4094     0.7458     0.0000 
   C  11    1.2875     5.8521     0.7504     1.2956     0.0000 
   C  12    1.9673     6.1389     1.2885     0.7463     1.4875     0.0000 
   C  13    1.9612     6.5227     1.2875     1.4879     0.7396     1.2822 
   C  14    2.2275     6.6541     1.4879     1.2875     1.2894     0.7354 
   H  15    3.8306     0.7417     4.5150     4.7028     5.1125     5.4385 

              C  13      C  14      H  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.7458     0.0000 
   H  15    5.7871     5.9348     0.0000 



ATOMIC CHARGES
   C   1    0.3818699424
   O   2   -0.2440507061
   C   3    0.1946631687
   C   4    0.0352813242
   O   5   -0.2440507061
   N   6   -0.1208096382
   C   7    0.0284199365
  Cl   8   -0.1453996612
   C   9   -0.0221265551
   C  10   -0.0042658435
   C  11   -0.0042658435
   C  12   -0.0003225279
   C  13   -0.0003225279
   C  14   -0.0000200236
   H  15    0.1453996612


BOND ANGLES
   2    1    3 O.co2  Cac   C3    119.624
   2    1    5 O.co2  Cac O.co2    119.589
   3    1    5   C3  Cac O.co2    120.787
   1    3    4  Cac   C3   C3    120.355
   1    3    6  Cac   C3   N3    119.948
   4    3    6   C3   C3   N3    119.697
   3    4    7   C3   C3   C3    120.116
   4    7    9   C3   C3  Car    119.671
   7    9   10   C3  Car  Car    120.466
   7    9   11   C3  Car  Car    119.553
  10    9   11  Car  Car  Car    119.982
   9   10   12  Car  Car  Car    119.430
   9   11   13  Car  Car  Car    119.553
  10   12   14  Car  Car  Car    120.662
  11   13   14  Car  Car  Car    120.466
  12   14   13  Car  Car  Car    119.908


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


CHIRAL ATOMS
  11   13   14   12      0.026