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Di-tert-Butyl azodicarboxylate
Di-tert-Butyl azodicarboxylate ID: API-42666
CAS:870-50-8
Supplier:APIchem

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SMILES:O(C(C)(C)C)C(=O)N=NC(=O)OC(C)(C)C	ChemMol.com
FORMULA: C10H18N2O4
MASS: 230.2609
EXACT MASS: 230.1266571
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      N   5      N   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    4.3590     0.0000 
   O   3    1.7321     3.6055     0.0000 
   O   4    3.6056     1.7320     3.6056     0.0000 
   N   5    1.7321     2.6458     1.7320     2.0000     0.0000 
   N   6    2.6458     1.7321     2.0000     1.7321     1.0000     0.0000 
   C   7    1.0000     5.1962     2.0000     4.5826     2.6458     3.4641 
   C   8    5.1962     1.0000     4.5826     2.0000     3.4641     2.6458 
   C   9    6.0828     2.0000     5.5677     2.6457     4.3589     3.6055 
   C  10    5.7617     1.4142     4.8715     2.9093     4.0576     3.1196 
   C  11    4.7754     1.4142     4.5020     1.2393     3.0880     2.5036 
   C  12    2.0000     6.0828     2.6458     5.5678     3.6055     4.3589 
   C  13    1.4142     5.7617     2.9093     4.8716     3.1196     4.0576 
   C  14    1.4142     4.7754     1.2394     4.5020     2.5036     3.0880 
   C  15    3.4642     1.0000     3.0000     1.0000     1.7321     1.0001 
   C  16    1.0001     3.4641     1.0000     3.0000     1.0000     1.7320 
   H  17    6.3723     2.0939     5.6972     3.0873     4.6402     3.8024 
   H  18    6.6487     2.6200     6.1810     3.1408     4.9340     4.2101 
   H  19    5.8449     2.0938     5.5054     2.2883     4.1517     3.5086 
   H  20    5.2916     1.0698     4.3054     2.7583     3.6234     2.6489 
   H  21    6.1679     1.9038     5.1410     3.4980     4.4985     3.5257 
   H  22    6.2578     1.9037     5.4494     3.1762     4.5352     3.6354 
   H  23    5.3636     1.9037     5.1217     1.7776     3.6932     3.1229 
   H  24    4.6051     1.9038     4.5627     1.0062     3.0021     2.6113 
   H  25    4.1963     1.0697     3.8823     0.8248     2.4901     1.8848 
   H  26    2.0939     6.3723     3.0874     5.6973     3.8024     4.6402 
   H  27    2.6199     6.6486     3.1408     6.1810     4.2100     4.9339 
   H  28    2.0938     5.8449     2.2884     5.5055     3.5086     4.1517 
   H  29    1.0697     5.2915     2.7583     4.3054     2.6488     3.6233 
   H  30    1.9038     6.1679     3.4981     5.1411     3.5257     4.4985 
   H  31    1.9037     6.2578     3.1762     5.4495     3.6354     4.5352 
   H  32    1.9037     5.3636     1.7777     5.1218     3.1229     3.6932 
   H  33    1.9038     4.6051     1.0063     4.5628     2.6113     3.0021 
   H  34    1.0698     4.1962     0.8248     3.8823     1.8847     2.4900 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    6.0828     0.0000 
   C   9    7.0000     1.0000     0.0000 
   C  10    6.5724     1.0000     1.4142     0.0000 
   C  11    5.7275     1.0000     1.4142     2.0000     0.0000 
   C  12    1.0000     7.0000     7.9372     7.4294     6.6936     0.0000 
   C  13    1.0000     6.5724     7.4294     7.1689     6.0828     1.4142 
   C  14    1.0000     5.7275     6.6936     6.0828     5.5324     1.4142 
   C  15    4.3590     1.7320     2.6457     2.3941     1.5059     5.2915 
   C  16    1.7321     4.3589     5.2915     4.8439     4.0664     2.6458 
   H  17    7.2530     1.1766     0.6200     1.0698     1.9037     8.1612 
   H  18    7.5793     1.6200     0.6201     1.9038     1.9038     8.5255 
   H  19    6.7943     1.1766     0.6200     1.9037     1.0697     7.7564 
   H  20    6.0631     1.1766     1.9037     0.6200     2.0939     6.8935 
   H  21    6.9313     1.6200     1.9038     0.6201     2.6200     7.7487 
   H  22    7.0993     1.1766     1.0697     0.6200     2.0938     7.9775 
   H  23    6.3252     1.1766     1.0698     2.0939     0.6200     7.2971 
   H  24    5.5863     1.6200     1.9038     2.6200     0.6201     6.5732 
   H  25    5.1351     1.1766     1.9037     2.0938     0.6200     6.0933 
   H  26    1.1766     7.2530     8.1612     7.7487     6.8680     0.6200 
   H  27    1.6199     7.5792     8.5255     7.9775     7.2971     0.6200 
   H  28    1.1766     6.7943     7.7564     7.1497     6.5731     0.6200 
   H  29    1.1766     6.0630     6.8934     6.7049     5.5285     1.9038 
   H  30    1.6200     6.9313     7.7487     7.5815     6.3723     1.9038 
   H  31    1.1766     7.0993     7.9775     7.6548     6.6486     1.0697 
   H  32    1.1766     6.3252     7.2971     6.6486     6.1491     1.0698 
   H  33    1.6200     5.5863     6.5732     5.8449     5.5001     1.9038 
   H  34    1.1766     5.1350     6.0932     5.5285     4.9165     1.9038 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.0000     0.0000 
   C  15    4.8440     4.0665     0.0000 
   C  16    2.3942     1.5060     2.6458     0.0000 
   H  17    7.7487     6.8680     2.9082     5.5255     0.0000 
   H  18    7.9776     7.2972     3.2380     5.8809     0.8768     0.0000 
   H  19    7.1497     6.5731     2.5120     5.1221     1.2399     0.8769 
   H  20    6.7050     5.5286     2.0631     4.3461     1.6639     2.4531 
   H  21    7.5815     6.3723     2.9035     5.2188     1.4143     2.2911 
   H  22    7.6548     6.6486     2.8242     5.3673     0.5374     1.4142 
   H  23    6.6486     6.1491     2.1241     4.6776     1.6639     1.4143 
   H  24    5.8449     5.5001     1.6788     4.0016     2.4531     2.2911 
   H  25    5.5286     4.9165     0.8901     3.4584     2.2910     2.4531 
   H  26    1.0698     1.9037     5.5256     2.9083     8.4250     8.7345 
   H  27    1.9037     1.9037     5.8809     3.2380     8.7344     9.1180 
   H  28    1.9037     1.0697     5.1222     2.5121     7.9372     8.3575 
   H  29    0.6201     2.0938     4.3461     2.0631     7.2364     7.4294 
   H  30    0.6201     2.6200     5.2189     2.9036     8.1029     8.2757 
   H  31    0.6200     2.0938     5.3674     2.8243     8.2756     8.5355 
   H  32    2.0939     0.6200     4.6777     2.1242     7.4575     7.9033 
   H  33    2.6200     0.6201     4.0017     1.6789     6.6936     7.1869 
   H  34    2.0939     0.6201     3.4584     0.8901     6.2844     6.6936 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.2910     0.0000 
   H  21    2.4531     0.8768     0.0000 
   H  22    1.6639     1.2399     0.8769     0.0000 
   H  23    0.5374     2.3532     2.6924     2.0000     0.0000 
   H  24    1.4142     2.6924     3.2401     2.6923     0.8768     0.0000 
   H  25    1.6639     2.0000     2.6923     2.3531     1.2399     0.8769 
   H  26    7.9372     7.2365     8.1029     8.2756     7.4575     6.6936 
   H  27    8.3574     7.4294     8.2756     8.5354     7.9032     7.1868 
   H  28    7.6219     6.5912     7.4294     7.7177     7.1868     6.5099 
   H  29    6.5911     6.2681     7.1444     7.1688     6.0827     5.2656 
   H  30    7.4294     7.1445     8.0208     8.0425     6.9145     6.0828 
   H  31    7.7177     7.1689     8.0425     8.1590     7.2234     6.4317 
   H  32    7.1868     6.0828     6.9145     7.2234     6.7664     6.1200 
   H  33    6.5099     5.2657     6.0828     6.4317     6.1200     5.5374 
   H  34    5.9607     4.9897     5.8455     6.0827     5.5323     4.8800 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    6.2845     0.0000 
   H  27    6.6936     0.8768     0.0000 
   H  28    5.9608     1.2399     0.8768     0.0000 
   H  29    4.9897     1.6640     2.4531     2.2910     0.0000 
   H  30    5.8456     1.4143     2.2910     2.4531     0.8769     0.0000 
   H  31    6.0828     0.5374     1.4142     1.6639     1.2400     0.8769 
   H  32    5.5324     1.6639     1.4142     0.5374     2.3532     2.6924 
   H  33    4.8801     2.4531     2.2910     1.4142     2.6924     3.2401 
   H  34    4.3018     2.2910     2.4531     1.6640     2.0000     2.6924 

              H  31      H  32      H  33      H  34
              --------------------------------------------
   H  31    0.0000 
   H  32    2.0000     0.0000 
   H  33    2.6923     0.8768     0.0000 
   H  34    2.3532     1.2400     0.8769     0.0000 



ATOMIC CHARGES
   O   1   -0.4424174069
   O   2   -0.4424174069
   O   3   -0.2227632105
   O   4   -0.2227632105
   N   5   -0.0475485026
   N   6   -0.0475485026
   C   7    0.1068877286
   C   8    0.1068877286
   C   9   -0.0253119884
   C  10   -0.0253119884
   C  11   -0.0253119884
   C  12   -0.0253119884
   C  13   -0.0253119884
   C  14   -0.0253119884
   C  15    0.4407727213
   C  16    0.4407727213
   H  17    0.0267782928
   H  18    0.0267782928
   H  19    0.0267782928
   H  20    0.0267782928
   H  21    0.0267782928
   H  22    0.0267782928
   H  23    0.0267782928
   H  24    0.0267782928
   H  25    0.0267782928
   H  26    0.0267782928
   H  27    0.0267782928
   H  28    0.0267782928
   H  29    0.0267782928
   H  30    0.0267782928
   H  31    0.0267782928
   H  32    0.0267782928
   H  33    0.0267782928
   H  34    0.0267782928


BOND ANGLES
   7    1   16   C3   O3   C2    120.001
   8    2   15   C3   O3   C2    119.999
   6    5   16  Nam  Nam   C2    119.999
   5    6   15  Nam  Nam   C2    120.001
   1    7   12   O3   C3   C3    179.974
   1    7   13   O3   C3   C3     90.000
   1    7   14   O3   C3   C3     90.000
  12    7   13   C3   C3   C3     90.000
  12    7   14   C3   C3   C3     90.000
  13    7   14   C3   C3   C3    179.974
   2    8    9   O3   C3   C3    179.974
   2    8   10   O3   C3   C3     90.000
   2    8   11   O3   C3   C3     90.000
   9    8   10   C3   C3   C3     90.000
   9    8   11   C3   C3   C3     90.000
  10    8   11   C3   C3   C3    179.974
   8    9   17   C3   C3   HC     90.001
   8    9   18   C3   C3   HC    179.974
   8    9   19   C3   C3   HC     89.999
  17    9   18   HC   C3   HC     89.995
  17    9   19   HC   C3   HC    179.974
  18    9   19   HC   C3   HC     90.005
   8   10   20   C3   C3   HC     90.001
   8   10   21   C3   C3   HC    179.974
   8   10   22   C3   C3   HC     89.999
  20   10   21   HC   C3   HC     89.995
  20   10   22   HC   C3   HC    179.974
  21   10   22   HC   C3   HC     90.005
   8   11   23   C3   C3   HC     90.001
   8   11   24   C3   C3   HC    179.974
   8   11   25   C3   C3   HC     89.999
  23   11   24   HC   C3   HC     89.995
  23   11   25   HC   C3   HC    179.974
  24   11   25   HC   C3   HC     90.005
   7   12   26   C3   C3   HC     90.001
   7   12   27   C3   C3   HC    179.974
   7   12   28   C3   C3   HC     89.999
  26   12   27   HC   C3   HC     90.000
  26   12   28   HC   C3   HC    179.974
  27   12   28   HC   C3   HC     90.000
   7   13   29   C3   C3   HC     89.996
   7   13   30   C3   C3   HC    179.974
   7   13   31   C3   C3   HC     89.999
  29   13   30   HC   C3   HC     90.000
  29   13   31   HC   C3   HC    179.974
  30   13   31   HC   C3   HC     90.005
   7   14   32   C3   C3   HC     90.001
   7   14   33   C3   C3   HC    179.974
   7   14   34   C3   C3   HC     90.004
  32   14   33   HC   C3   HC     89.995
  32   14   34   HC   C3   HC    179.974
  33   14   34   HC   C3   HC     90.000
   2   15    4   O3   C2   O2    120.001
   2   15    6   O3   C2  Nam    120.001
   4   15    6   O2   C2  Nam    119.998
   1   16    3   O3   C2   O2    119.998
   1   16    5   O3   C2  Nam    120.001
   3   16    5   O2   C2  Nam    120.001


TORSION ANGLES
  16    1    7   12    180.000
  16    1    7   13    179.974
  16    1    7   14      0.026
   7    1   16    3      0.026
   7    1   16    5    179.974
  15    2    8    9    180.000
  15    2    8   10    179.974
  15    2    8   11      0.026
   8    2   15    4      0.026
   8    2   15    6    179.974
  16    5    6   15    179.974
   6    5   16    1    179.974
   6    5   16    3      0.026
   5    6   15    2    179.974
   5    6   15    4      0.026
   1    7   12   26    180.000
   1    7   12   27    180.000
   1    7   12   28    180.000
  13    7   12   26      0.026
  13    7   12   27    179.974
  13    7   12   28    179.974
  14    7   12   26    179.974
  14    7   12   27      0.026
  14    7   12   28      0.026
   1    7   13   29      0.026
   1    7   13   30      0.026
   1    7   13   31    179.974
  12    7   13   29    179.974
  12    7   13   30    179.974
  12    7   13   31      0.026
  14    7   13   29    179.974
  14    7   13   30    179.974
  14    7   13   31      0.026
   1    7   14   32    179.974
   1    7   14   33    179.974
   1    7   14   34      0.026
  12    7   14   32      0.026
  12    7   14   33      0.026
  12    7   14   34    179.974
  13    7   14   32      0.026
  13    7   14   33      0.026
  13    7   14   34    179.974
   2    8    9   17    180.000
   2    8    9   18    180.000
   2    8    9   19    180.000
  10    8    9   17      0.026
  10    8    9   18      0.026
  10    8    9   19    179.974
  11    8    9   17    179.974
  11    8    9   18    179.974
  11    8    9   19      0.026
   2    8   10   20      0.026
   2    8   10   21      0.026
   2    8   10   22    179.974
   9    8   10   20    179.974
   9    8   10   21    179.974
   9    8   10   22      0.026
  11    8   10   20    179.974
  11    8   10   21    179.974
  11    8   10   22      0.026
   2    8   11   23    179.974
   2    8   11   24    179.974
   2    8   11   25      0.026
   9    8   11   23      0.026
   9    8   11   24      0.026
   9    8   11   25    179.974
  10    8   11   23      0.026
  10    8   11   24      0.026
  10    8   11   25    179.974