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1-Cbz-2-hydroxymethylpiperidine
1-Cbz-2-hydroxymethylpiperidine ID: API-28883
CAS:105706-75-0
Supplier:APIchem

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SMILES:N1(C(=O)OCc2ccccc2)C(CO)CCCC1	ChemMol.com
FORMULA: C14H19NO3
MASS: 249.3056
EXACT MASS: 249.1364935
INTERATOMIC DISTANCES

              N   1      C   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2357     0.0000 
   O   3    2.1458     1.2393     0.0000 
   O   4    2.1412     1.2375     2.1433     0.0000 
   C   5    1.2375     2.1412     2.4771     3.2719     0.0000 
   C   6    3.2793     2.1500     1.2393     2.4807     3.7164     0.0000 
   C   7    1.2393     2.1458     3.2793     2.4771     2.1433     4.2958 
   C   8    4.2875     3.2753     2.1417     3.7128     4.4625     1.2321 
   O   9    2.4771     2.1433     1.2375     3.2733     2.1458     2.1433 
   C  10    2.1484     2.4792     2.1505     3.7167     1.2399     3.2816 
   C  11    2.1505     3.2789     3.7205     4.2917     1.2435     4.9599 
   C  12    5.3978     4.2917     3.2753     4.4666     5.6740     2.1417 
   C  13    4.4625     3.7128     2.4735     4.4616     4.2875     2.1391 
   C  14    2.1500     3.2793     4.2958     3.7164     2.4807     5.4061 
   C  15    2.4807     3.7164     4.4705     4.4645     2.1500     5.6819 
   C  16    5.6767     4.9563     3.7170     5.6774     5.3988     3.2762 
   C  17    6.4375     5.4020     4.2917     5.6780     6.5554     3.2753 
   C  18    6.5554     5.6780     4.4666     6.1936     6.4375     3.7128 

              C   7      C   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    5.3978     0.0000 
   O   9    3.7164     2.4735     0.0000 
   C  10    3.2789     3.7170     1.2435     0.0000 
   C  11    2.4792     5.6767     3.2809     2.1458     0.0000 
   C  12    6.4375     1.2393     3.7128     4.9563     6.8984     0.0000 
   C  13    5.6740     1.2375     2.1417     3.2769     5.3988     2.1433 
   C  14    1.2393     6.4375     4.4705     3.7205     2.1505     7.5378 
   C  15    2.1433     6.5554     4.2958     3.2809     1.2435     7.7379 
   C  16    6.8984     2.1505     3.2769     4.2917     6.4375     2.4792 
   C  17    7.5378     2.1500     4.4666     5.6807     7.7399     1.2393 
   C  18    7.7379     2.4807     4.2917     5.4030     7.5385     2.1433 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    6.5554     0.0000 
   C  15    6.4375     1.2375     0.0000 
   C  16    1.2435     7.7399     7.5385     0.0000 
   C  17    2.4807     8.5875     8.6762     2.1505     0.0000 
   C  18    2.1500     8.6762     8.5875     1.2435     1.2375     0.0000 




ATOMIC CHARGES
   N   1   -0.2450512719
   C   2    0.4052114548
   O   3   -0.4295305839
   O   4   -0.2261819685
   C   5    0.1114461356
   C   6    0.2367131789
   C   7    0.0967553239
   C   8    0.0213201810
   O   9   -0.2185690699
   C  10    0.2018044807
   C  11    0.0226687947
   C  12   -0.0006876101
   C  13   -0.0006876101
   C  14    0.0216760820
   C  15    0.0035445678
   C  16   -0.0002074756
   C  17   -0.0002074756
   C  18   -0.0000171340


BOND ANGLES
   2    1    5   C2  Nam   C3    119.939
   2    1    7   C2  Nam   C3    120.220
   5    1    7   C3  Nam   C3    119.842
   1    2    3  Nam   C2   O3    120.220
   1    2    4  Nam   C2   O2    119.939
   3    2    4   O3   C2   O2    119.842
   2    3    6   C2   O3   C3    120.316
   1    5   10  Nam   C3   C3    120.271
   1    5   11  Nam   C3   C3    120.174
  10    5   11   C3   C3   C3    119.555
   3    6    8   O3   C3  Car    120.124
   1    7   14  Nam   C3   C3    120.316
   6    8   12   C3  Car  Car    120.124
   6    8   13   C3  Car  Car    120.034
  12    8   13  Car  Car  Car    119.842
   5   10    9   C3   C3   O3    119.555
   5   11   15   C3   C3   C3    119.653
   8   12   17  Car  Car  Car    120.316
   8   13   16  Car  Car  Car    120.174
   7   14   15   C3   C3   C3    119.842
  11   15   14   C3   C3   C3    120.174
  13   16   18  Car  Car  Car    119.653
  12   17   18  Car  Car  Car    119.842
  16   18   17  Car  Car  Car    120.174


TORSION ANGLES
   3    2    1    5      0.026
   3    2    1    7    179.974
   4    2    1    5    179.974
   4    2    1    7      0.026
   6    3    2    1    179.974
   6    3    2    4      0.026
  10    5    1    2      0.026
  10    5    1    7    179.974
  11    5    1    2    179.974
  11    5    1    7      0.026
   8    6    3    2    179.974
  14    7    1    2    179.974
  14    7    1    5      0.026
  12    8    6    3    179.974
  13    8    6    3      0.026
   9   10    5    1      0.026
   9   10    5   11    179.974
  15   11    5    1      0.026
  15   11    5   10    179.974
  17   12    8    6    179.974
  17   12    8   13      0.026
  16   13    8    6    179.974
  16   13    8   12      0.026
  15   14    7    1      0.026
  11   15   14    7      0.026
  18   16   13    8      0.026
  18   17   12    8      0.026
  17   18   16   13      0.026
  14   15   11    5      0.026
  16   18   17   12      0.026


CHIRAL ATOMS
  16   18   17   12      0.026