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tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
ID: Cs00308
CAS:236406-39-6
Supplier:Clousem

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SMILES:C1CN(CCC21CNCC2)C(=O)OC(C)(C)C	
FORMULA: C13H24N2O2
MASS: 240.3419
EXACT MASS: 240.1837780
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5218     0.0000 
   N   3    2.6340     1.5197     0.0000 
   C   4    3.0387     2.6293     1.5164     0.0000 
   C   5    2.6293     3.0325     2.6232     1.5126     0.0000 
   C   6    1.5309     2.6235     3.0121     2.5938     1.4825     0.0000 
   C   7    3.0477     4.0517     4.0721     3.1045     1.5920     1.5203 
   N   8    3.7326     5.0454     5.3778     4.5703     3.0684     2.4441 
   C   9    3.0803     4.5839     5.3579     4.9894     3.6635     2.4195 
   C  10    1.5565     3.0722     3.9863     3.9154     2.8877     1.4083 
   O  11    5.2706     4.0247     2.6366     3.0426     4.5552     5.4506 
   C  12    6.6313     5.2693     4.0261     4.5629     6.0755     6.9372 
   C  13    8.0492     6.6298     5.4853     6.0831     7.5957     8.4357 
   C  14    6.1871     4.6981     3.8101     4.8084     6.2620     6.8207 
   C  15    7.3681     6.1710     4.7459     4.8106     6.2636     7.3722 
   C  16    4.0270     2.6361     1.5243     2.6333     4.0159     4.5364 
   O  17    4.5660     3.0442     2.6366     4.0216     5.2598     5.4647 

              C   7      N   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.5041     0.0000 
   C   9    2.4884     1.6069     0.0000 
   C  10    2.4098     2.4809     1.5301     0.0000 
   O  11    6.1471     7.6045     7.8642     6.5781     0.0000 
   C  12    7.6673     9.1226     9.3402     8.0100     1.5203     0.0000 
   C  13    9.1875    10.6413    10.8284     9.4695     3.0405     1.5202 
   C  14    7.8113     9.1747     9.1273     7.6852     2.1500     1.5203 
   C  15    7.8219     9.3216     9.7875     8.5954     2.1500     1.5202 
   C  16    5.5391     6.8865     6.8709     5.4660     1.5203     2.6332 
   O  17    6.6766     7.9000     7.6135     6.1133     2.6332     3.0406 

              C  13      C  14      C  15      C  16      O  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    2.1500     0.0000 
   C  15    2.1499     3.0405     0.0000 
   C  16    4.0222     2.2895     3.6397     0.0000 
   O  17    4.0222     1.8841     4.4229     1.5203     0.0000 



ATOMIC CHARGES
   C   1    0.0231046586
   C   2    0.0967695999
   N   3   -0.2460227304
   C   4    0.0967695999
   C   5    0.0231046586
   C   6    0.0208051123
   C   7    0.0887624022
   N   8   -0.2180493488
   C   9    0.0887433298
   C  10    0.0203010923
   O  11   -0.4417880830
   C  12    0.1378299069
   C  13    0.0437415187
   C  14    0.0437415187
   C  15    0.0437415187
   C  16    0.4046423107
   O  17   -0.2261970649


BOND ANGLES
   2    1    6   C3   C3   C3    118.497
   1    2    3   C3   C3  Nam    119.998
   2    3    4   C3  Nam   C3    120.001
   2    3   16   C3  Nam   C2    119.998
   4    3   16   C3  Nam   C2    120.001
   3    4    5  Nam   C3   C3    120.001
   4    5    6   C3   C3   C3    119.998
   1    6    5   C3   C3   C3    121.505
   5    6    7   C3   C3   C3     64.018
   5    6   10   C3   C3   C3    174.702
   1    6    7   C3   C3   C3    174.477
   1    6   10   C3   C3   C3     63.793
   7    6   10   C3   C3   C3    110.684
   6    7    8   C3   C3   N3    107.829
   7    8    9   C3   N3   C3    106.191
   8    9   10   N3   C3   C3    104.504
   6   10    9   C3   C3   C3    110.792
  12   11   16   C3   O3   C2    119.999
  11   12   13   O3   C3   C3    179.974
  11   12   14   O3   C3   C3     90.000
  11   12   15   O3   C3   C3     90.000
  13   12   14   C3   C3   C3     90.000
  13   12   15   C3   C3   C3     90.000
  14   12   15   C3   C3   C3    179.974
   3   16   17  Nam   C2   O2    119.999
   3   16   11  Nam   C2   O3    119.999
  11   16   17   O3   C2   O2    120.003


TORSION ANGLES
   6    1    2    3      0.026
   1    2    3    4      0.026
   1    2    3   16    179.974
   2    3    4    5      0.026
  16    3    4    5    179.974
   3    4    5    6      0.026
   4    5    6    1      0.026
   4    5    6    7    179.974
   4    5    6   10    179.974
   5    6    1    2      0.026
   7    6    1    2    179.974
  10    6    1    2    179.974
   5    6    7    8    179.974
   1    6    7    8      0.026
  10    6    7    8      0.026
   6    7    8    9      0.026
   8    9   10    6      0.026
   9   10    6    5      0.026
   9   10    6    1    179.974
   9   10    6    7      0.026
   2    3   16   17      0.026
   2    3   16   11    179.974
   4    3   16   17    179.974
   4    3   16   11      0.026
  10    9    8    7      0.026
  16   11   12   13    180.000
  16   11   12   14      0.026
  16   11   12   15    179.974
  12   11   16    3    179.974
  12   11   16   17      0.026