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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: Cs00344
CAS:236406-39-6
Supplier:Clousem

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SMILES:C1CC2(CN1)CCN(CC2)C(=O)OC(C)(C)C	
FORMULA: C13H24N2O2
MASS: 240.3419
EXACT MASS: 240.1837780
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5213     0.0000 
   C   3    2.4934     1.5515     0.0000 
   C   4    2.4614     2.4620     1.5252     0.0000 
   N   5    1.5209     2.4620     2.4842     1.5221     0.0000 
   C   6    3.2030     1.7075     1.5617     3.0809     3.7852     0.0000 
   C   7    4.7395     3.2595     2.6980     4.1469     5.1508     1.5536 
   N   8    5.5311     4.2167     3.1085     4.2131     5.5303     2.6860 
   C   9    5.1558     4.1495     2.6863     3.2696     4.7495     3.0869 
   C  10    3.8024     3.0880     1.5391     1.7355     3.2302     2.6607 
   C  11    7.0259     5.6739     4.6146     5.6709     7.0252     4.0613 
   O  12    8.0245     6.8015     5.5363     6.3013     7.7691     5.3138 
   C  13    9.4886     8.2182     7.0103     7.8090     9.2735     6.6615 
   O  14    7.7568     6.2919     5.5275     6.7807     8.0081     4.5874 
   C  15   10.8010     9.4637     8.3537     9.2453    10.6844     7.8374 
   C  16    9.0180     7.6275     6.6305     7.6767     9.0447     5.9651 
   C  17   10.5841     9.4110     8.0909     8.6887    10.1963     7.9423 

              C   7      N   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.5479     0.0000 
   C   9    2.6605     1.5242     0.0000 
   C  10    3.0658     2.6496     1.5353     0.0000 
   C  11    2.6450     1.5061     2.6243     4.0260     0.0000 
   O  12    4.0453     2.6278     3.0323     4.5676     1.5282     0.0000 
   C  13    5.2742     4.0031     4.5401     6.0754     2.6293     1.5078 
   O  14    3.0339     2.6096     4.0029     5.2592     1.5072     2.6288 
   C  15    6.3585     5.2703     5.9890     7.5200     3.7898     2.9786 
   C  16    4.4527     3.5234     4.5307     6.0027     2.0200     1.9404 
   C  17    6.6445     5.2563     5.4670     6.9664     4.0270     2.6285 

              C  13      O  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   O  14    3.0358     0.0000 
   C  15    1.5140     3.6331     0.0000 
   C  16    1.5069     1.7020     1.9512     0.0000 
   C  17    1.5273     4.5630     1.9428     2.9875     0.0000 



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


BOND ANGLES
   2    1    5   C3   C3   N3    108.051
   1    2    3   C3   C3   C3    108.468
   2    3    4   C3   C3   C3    106.293
   2    3    6   C3   C3   C3     66.520
   2    3   10   C3   C3   C3    175.284
   4    3    6   C3   C3   C3    172.813
   4    3   10   C3   C3   C3     68.991
   6    3   10   C3   C3   C3    118.196
   3    4    5   C3   C3   N3    109.213
   1    5    4   C3   N3   C3    107.974
   3    6    7   C3   C3   C3    120.001
   6    7    8   C3   C3  Nam    120.002
   7    8    9   C3  Nam   C3    119.998
   7    8   11   C3  Nam   C2    120.002
   9    8   11   C3  Nam   C2    120.000
   8    9   10  Nam   C3   C3    120.000
   3   10    9   C3   C3   C3    121.803
   8   11   12  Nam   C2   O3    119.999
   8   11   14  Nam   C2   O2    119.999
  12   11   14   O3   C2   O2    120.001
  11   12   13   C2   O3   C3    119.999
  12   13   15   O3   C3   C3    160.596
  12   13   16   O3   C3   C3     80.130
  12   13   17   O3   C3   C3    119.998
  15   13   16   C3   C3   C3     80.466
  15   13   17   C3   C3   C3     79.406
  16   13   17   C3   C3   C3    159.872


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