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8-(aminomethyl)naphthalene-2-carboxylic acid hydrochloride
8-(aminomethyl)naphthalene-2-carboxylic acid hydrochloride ID: B187272
CAS:152768-98-4
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1c2c(CN)cccc2ccc1C(=O)O.Cl	
FORMULA: C12H12ClNO2
MASS: 237.6822
EXACT MASS: 237.0556563
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7504     0.0000 
   C   3    0.7375     1.2875     0.0000 
   C   4    1.2792     1.9653     0.7411     0.0000 
   O   5    1.9604     2.5750     1.2875     0.7447     0.0000 
   C   6    1.2958     0.7426     1.9670     2.5750     3.2411     0.0000 
   C   7    1.2822     1.4838     0.7417     1.2843     1.4859     2.2264 
   C   8    1.2956     0.7458     1.4900     2.2311     2.6820     1.2864 
   C   9    1.4875     1.2885     1.2859     1.9619     2.2255     1.9665 
   O  10    1.4787     2.2291     1.2843     0.7417     1.2864     2.6820 
  Cl  11    2.9270     2.2906     3.5722     4.2056     4.8571     1.6323 
   N  12    2.2301     1.9610     2.9675     3.4009     4.1346     1.2843 
   C  13    1.4910     1.2864     2.2284     2.6785     3.4062     0.7458 
   C  14    2.2368     1.4864     2.6791     3.4038     3.9313     1.2859 
   C  15    1.9751     1.2875     2.5750     3.2395     3.8625     0.7432 
   C  16    1.9736     1.2894     2.2296     2.9708     3.4038     1.4875 

              C   7      C   8      C   9      O  10     Cl  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2875     0.0000 
   C   9    0.7396     0.7463     0.0000 
   O  10    1.9621     2.6816     2.5702     0.0000 
  Cl  11    3.7013     2.4901     3.2339     4.2893     0.0000 
   N  12    3.3977     2.5707     3.2359     3.2371     1.5637     0.0000 
   C  13    2.6758     1.9673     2.5748     2.5750     1.8357     0.7391 
   C  14    2.5708     1.2833     1.9670     3.7155     1.4203     2.2292 
   C  15    2.6763     1.4838     2.2301     3.4078     1.0251     1.4875 
   C  16    1.9628     0.7396     1.2875     3.4050     2.1463     2.6800 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.9686     0.0000 
   C  15    1.2915     0.7417     0.0000 
   C  16    2.2333     0.7447     1.2885     0.0000 



ATOMIC CHARGES
   C   1    0.0063081990
   C   2   -0.0023542660
   C   3    0.0797634220
   C   4    0.3877520380
   O   5   -0.2405521956
   C   6   -0.0031744437
   C   7    0.0065761584
   C   8   -0.0002539946
   C   9    0.0002015352
   O  10   -0.2405521956
  Cl  11    0.0000000000
   N  12   -0.1262162515
   C  13    0.1356195807
   C  14   -0.0002775418
   C  15   -0.0028213963
   C  16   -0.0000186484


BOND ANGLES
   2    1    3  Car  Car  Car    119.834
   1    2    6  Car  Car  Car    120.429
   1    2    8  Car  Car  Car    119.982
   6    2    8  Car  Car  Car    119.589
   1    3    4  Car  Car  Cac    119.795
   1    3    7  Car  Car  Car    120.184
   4    3    7  Cac  Car  Car    120.021
   3    4    5  Car  Cac O.co2    120.116
   3    4   10  Car  Cac O.co2    120.021
   5    4   10 O.co2  Cac O.co2    119.863
   2    6   13  Car  Car   C3    119.589
   2    6   15  Car  Car  Car    120.110
  13    6   15   C3  Car  Car    120.301
   3    7    9  Car  Car  Car    120.466
   2    8   16  Car  Car  Car    120.466
   2    8    9  Car  Car  Car    119.430
   9    8   16  Car  Car  Car    120.105
   7    9    8  Car  Car  Car    120.105
   6   13   12  Car   C3   N3    119.746
  15   14   16  Car  Car  Car    120.188
   6   15   14  Car  Car  Car    119.977
   8   16   14  Car  Car  Car    119.671


TORSION ANGLES
   6    2    1    3    179.974
   8    2    1    3      0.026
   4    3    1    2    179.974
   7    3    1    2      0.026
   5    4    3    1    179.974
   5    4    3    7      0.026
  10    4    3    1      0.026
  10    4    3    7    179.974
  13    6    2    1      0.026
  13    6    2    8    179.974
  15    6    2    1    179.974
  15    6    2    8      0.026
   9    7    3    1      0.026
   9    7    3    4    179.974
  16    8    2    1    179.974
  16    8    2    6      0.026
   9    8    2    1      0.026
   9    8    2    6    179.974
   8    9    7    3      0.026
  12   13    6    2    179.974
  12   13    6   15      0.026
  15   14   16    8      0.026
  14   15    6    2      0.026
  14   15    6   13    179.974
  14   16    8    2      0.026
  14   16    8    9    179.974
   2    8    9    7      0.026
  16    8    9    7    179.974
   6   15   14   16      0.026