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4-(3,4-Dichloro-phenoxy)-piperidine 1HCl salt
4-(3,4-Dichloro-phenoxy)-piperidine 1HCl salt ID: B204101
CAS:245057-73-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(cc(OC2CCNCC2)ccc1Cl)Cl	
FORMULA: C11H13Cl2NO
MASS: 246.1330
EXACT MASS: 245.0374194
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.4331     0.0000 
   C   3    0.4331     0.7500     0.0000 
   C   4    0.7540     0.4375     0.8683     0.0000 
   N   5    2.3021     1.9948     2.2606     1.5675     0.0000 
   O   6    1.1520     0.7562     1.3050     0.4368     1.3042     0.0000 
   C   7    0.7540     0.8683     0.4375     0.7500     1.8943     1.1498 
  Cl   8    0.4334     0.7504     0.7504     1.1503     2.7152     1.5066 
   C   9    0.8708     0.7541     0.7541     0.4331     1.5066     0.7542 
  Cl  10    0.7541     1.1497     0.4366     1.3049     2.6468     1.7416 
   C  11    1.5065     1.1517     1.5677     0.7525     0.8709     0.4333 
   C  12    1.8976     1.5102     1.9936     1.1521     0.7504     0.7541 
   C  13    1.5704     1.3084     1.5081     0.8709     0.7525     0.7562 
   C  14    1.9939     1.7417     1.8963     1.3042     0.4368     1.1517 
   C  15    2.2605     1.8980     2.3013     1.5066     0.4331     1.1503 

              C   7     Cl   8      C   9     Cl  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
  Cl   8    1.1503     0.0000 
   C   9    0.4331     1.3042     0.0000 
  Cl  10    0.7560     0.8698     1.1519     0.0000 
   C  11    1.3029     1.8941     0.8698     1.9939     0.0000 
   C  12    1.7381     2.2606     1.3050     2.4233     0.4352     0.0000 
   C  13    1.1493     1.9940     0.7541     1.8975     0.4389     0.7542 
   C  14    1.5045     2.4209     1.1503     2.2605     0.7562     0.8698 
   C  15    1.9909     2.6449     1.5677     2.7169     0.7541     0.4333 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.4333     0.0000 
   C  15    0.8698     0.7542     0.0000 



ATOMIC CHARGES
   C   1    0.0712137199
   C   2    0.0491271914
   C   3    0.0683981089
   C   4    0.1392727537
   N   5   -0.2177990600
   O   6   -0.4790466339
   C   7    0.0153592888
  Cl   8   -0.0812615971
   C   9    0.0378157741
  Cl  10   -0.0813621002
   C  11    0.1687812139
   C  12    0.0623413563
   C  13    0.0623413563
   C  14    0.0924093139
   C  15    0.0924093139


BOND ANGLES
   2    1    3  Car  Car  Car    119.979
   2    1    8  Car  Car   Cl    120.011
   3    1    8  Car  Car   Cl    120.011
   1    2    4  Car  Car  Car    120.011
   1    3    7  Car  Car  Car    120.011
   1    3   10  Car  Car   Cl    120.248
   7    3   10  Car  Car   Cl    119.742
   2    4    6  Car  Car   O3    119.747
   2    4    9  Car  Car  Car    120.022
   6    4    9   O3  Car  Car    120.231
  14    5   15   C3   N3   C3    120.231
   4    6   11  Car   O3   C3    119.747
   3    7    9  Car  Car  Car    120.022
   4    9    7  Car  Car  Car    119.956
   6   11   12   O3   C3   C3    120.501
   6   11   13   O3   C3   C3    120.223
  12   11   13   C3   C3   C3    119.276
  11   12   15   C3   C3   C3    120.501
  11   13   14   C3   C3   C3    120.223
   5   14   13   N3   C3   C3    119.747
   5   15   12   N3   C3   C3    120.022


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