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2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester
2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester
ID: BP-12041
CAS:336191-17-4
Supplier:BroadPharm

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SMILES:C(=O)(N1CC2(CC1)CCNCC2)OC(C)(C)C	
FORMULA: C13H24N2O2
MASS: 240.3419
EXACT MASS: 240.1837780
INTERATOMIC DISTANCES

              C   1      N   2      O   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.5009     0.0000 
   O   3    1.5008     2.5994     0.0000 
   C   4    2.6736     1.4979     4.0153     0.0000 
   O   5    1.5012     2.6000     2.5999     3.1363     0.0000 
   C   6    2.6729     1.5002     3.1322     2.4247     4.0165     0.0000 
   C   7    3.8814     2.4257     4.9972     1.4983     4.5933     2.4260 
   N   8    6.7237     5.3607     7.9589     4.0669     7.0924     5.3619 
   C   9    2.4578     3.8709     1.5019     5.1306     2.7643     4.6131 
   C  10    3.8831     2.4285     4.5917     2.4269     5.0014     1.5005 
   C  11    6.4745     4.9977     7.5103     4.0149     7.1509     4.5916 
   C  12    5.7818     4.5904     7.1483     3.1333     5.9058     4.9980 
   C  13    5.1811     3.6810     6.1008     2.9946     6.0435     3.1073 
   C  14    4.2840     3.1045     5.6482     1.6329     4.5030     3.6790 
   C  15    3.7317     4.9765     2.3783     6.3649     4.2560     5.3730 
   C  16    1.8846     3.3653     2.0284     4.2982     1.4050     4.5226 
   C  17    3.6732     5.1632     2.9887     6.2642     3.4122     6.0565 

              C   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    3.0016     0.0000 
   C   9    6.2953     9.1790     0.0000 
   C  10    1.5010     4.0690     6.0443     0.0000 
   C  11    2.5994     1.5028     8.8638     3.1333     0.0000 
   C  12    2.5997     1.5002     8.2239     4.0174     2.6008     0.0000 
   C  13    1.5004     2.5997     7.5002     1.6341     1.5002     3.0016 
   C  14    1.4988     2.5983     6.7316     2.9957     3.0006     1.5014 
   C  15    7.3728    10.3368     1.4998     6.8687     9.8638     9.4952 
   C  16    5.6580     8.3450     1.4990     5.7673     8.2557     7.2331 
   C  17    7.5521    10.3285     1.4981     7.4485    10.1474     9.2506 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    2.5969     0.0000 
   C  15    8.4292     7.9939     0.0000 
   C  16    7.0240     5.7882     2.9877     0.0000 
   C  17    8.8397     7.7942     2.0281     2.0247     0.0000 



ATOMIC CHARGES
   C   1    0.4046423107
   N   2   -0.2460227304
   O   3   -0.4417880830
   C   4    0.0967600556
   O   5   -0.2261970649
   C   6    0.0967791451
   C   7    0.0228526936
   N   8   -0.2180493488
   C   9    0.1378299069
   C  10    0.0233566397
   C  11    0.0887528655
   C  12    0.0887528655
   C  13    0.0205530942
   C  14    0.0205530942
   C  15    0.0437415187
   C  16    0.0437415187
   C  17    0.0437415187


BOND ANGLES
   2    1    3  Nam   C2   O3    119.990
   2    1    5  Nam   C2   O2    120.008
   3    1    5   O3   C2   O2    120.002
   1    2    4   C2  Nam   C3    126.138
   1    2    6   C2  Nam   C3    125.914
   4    2    6   C3  Nam   C3    107.948
   1    3    9   C2   O3   C3    109.871
   2    4    7  Nam   C3   C3    108.111
   2    6   10  Nam   C3   C3    108.056
   4    7   13   C3   C3   C3    174.004
   4    7   14   C3   C3   C3     66.027
   4    7   10   C3   C3   C3    108.028
  13    7   14   C3   C3   C3    119.968
  10    7   13   C3   C3   C3     65.976
  10    7   14   C3   C3   C3    174.055
  11    8   12   C3   N3   C3    120.009
   3    9   15   O3   C3   C3    104.803
   3    9   16   O3   C3   C3     85.054
   3    9   17   O3   C3   C3    170.051
  15    9   16   C3   C3   C3    170.144
  15    9   17   C3   C3   C3     85.146
  16    9   17   C3   C3   C3     84.997
   6   10    7   C3   C3   C3    107.856
   8   11   13   N3   C3   C3    119.927
   8   12   14   N3   C3   C3    119.914
   7   13   11   C3   C3   C3    120.064
   7   14   12   C3   C3   C3    120.118


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