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2-(TERT-BUTOXYCARBONYLAMINO)PYRIDINE
2-(TERT-BUTOXYCARBONYLAMINO)PYRIDINE ID: API-9349
CAS:38427-94-0
Supplier:APIchem

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SMILES:O(C(C)(C)C)C(=O)Nc1ncccc1	ChemMol.com
FORMULA: C10H14N2O2
MASS: 194.2304
EXACT MASS: 194.1055277
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7321     0.0000 
   N   3    1.7321     1.7320     0.0000 
   N   4    3.4642     3.0000     1.7321     0.0000 
   C   5    1.0000     2.0000     2.6458     4.3590     0.0000 
   C   6    2.0000     2.6458     3.6055     5.2915     1.0000     0.0000 
   C   7    1.4142     2.9093     3.1196     4.8440     1.0000     1.4142 
   C   8    1.4142     1.2394     2.5036     4.0665     1.0000     1.4142 
   C   9    1.0001     1.0000     1.0000     2.6458     1.7321     2.6458 
   C  10    2.6458     2.0000     1.0000     1.0001     3.4641     4.3589 
   C  11    3.0000     1.7320     1.7320     1.7321     3.6055     4.3589 
   C  12    4.0001     2.6458     2.6458     2.0000     4.5826     5.2915 
   C  13    4.5826     3.4641     3.0000     1.7320     5.2915     6.0828 
   C  14    4.3590     3.6055     2.6458     1.0000     5.1962     6.0828 
   H  15    2.0938     2.2884     3.5086     5.1222     1.1766     0.6200 
   H  16    2.6199     3.1408     4.2100     5.8809     1.6199     0.6200 
   H  17    1.9037     3.1762     3.6354     5.3674     1.1766     1.0697 
   H  18    1.9038     3.4981     3.5257     5.2189     1.6200     1.9038 
   H  19    1.0697     2.7583     2.6488     4.3461     1.1766     1.9038 
   H  20    1.0698     0.8248     1.8847     3.4584     1.1766     1.9038 
   H  21    1.9038     1.0063     2.6113     4.0017     1.6200     1.9038 
   H  22    1.9037     1.7777     3.1229     4.6777     1.1766     1.0698 
   H  23    2.0939     3.0874     3.8024     5.5256     1.1766     0.6200 
   H  24    1.8397     2.2901     0.6200     1.8397     2.8292     3.8242 
   H  25    2.7431     1.2347     1.8397     2.2901     3.2070     3.8787 
   H  26    4.3434     2.8292     3.1408     2.6200     4.8213     5.4429 
   H  27    5.1928     4.0130     3.6200     2.2900     5.8809     6.6486 
   H  28    4.8708     4.2100     3.1408     1.4157     5.7415     6.6486 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    2.3942     1.5060     0.0000 
   C  10    4.0576     3.0880     1.7320     0.0000 
   C  11    4.3813     2.9671     2.0000     1.0000     0.0000 
   C  12    5.3785     3.8823     3.0000     1.7321     1.0001     0.0000 
   C  13    5.9941     4.6981     3.6055     2.0000     1.7321     1.0000 
   C  14    5.7617     4.7754     3.4641     1.7321     2.0000     1.7320 
   H  15    1.9037     1.0697     2.5121     4.1517     4.0203     4.9081 
   H  16    1.9037     1.9037     3.2380     4.9339     4.8707     5.7745 
   H  17    0.6200     2.0938     2.8243     4.5352     4.7624     5.7474 
   H  18    0.6201     2.6200     2.9036     4.4985     4.9033     5.9033 
   H  19    0.6201     2.0938     2.0631     3.6233     4.0596     5.0589 
   H  20    2.0939     0.6201     0.8901     2.4900     2.4674     3.4258 
   H  21    2.6200     0.6201     1.6789     3.0021     2.6845     3.5215 
   H  22    2.0939     0.6200     2.1242     3.6932     3.5054     4.3791 
   H  23    1.0698     1.9037     2.9083     4.6402     4.7545     5.7167 
   H  24    3.1085     2.8890     1.4158     1.4158     2.2901     3.1408 
   H  25    4.0596     2.4675     1.7732     1.4158     0.6200     1.4158 
   H  26    5.6786     4.0303     3.3533     2.2901     1.4158     0.6200 
   H  27    6.6020     5.2519     4.2100     2.6200     2.2901     1.4157 
   H  28    6.2578     5.3636     4.0130     2.2901     2.6200     2.2900 

              C  13      C  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   H  15    5.7523     5.8449     0.0000 
   H  16    6.6018     6.6486     0.8768     0.0000 
   H  17    6.4244     6.2578     1.6639     1.4142     0.0000 
   H  18    6.4691     6.1679     2.4531     2.2910     0.8769     0.0000 
   H  19    5.5993     5.2915     2.2910     2.4531     1.2400     0.8769 
   H  20    4.1828     4.1962     1.6640     2.4531     2.3532     2.6924 
   H  21    4.4047     4.6051     1.4142     2.2910     2.6923     3.2401 
   H  22    5.2361     5.3636     0.5374     1.4142     2.0000     2.6924 
   H  23    6.4560     6.3723     1.2399     0.8768     0.5374     1.4143 
   H  24    3.3533     2.8292     3.8211     4.4422     3.6785     3.4198 
   H  25    2.2901     2.6200     3.4939     4.3589     4.3813     4.6181 
   H  26    1.4158     2.2901     5.0048     5.8809     5.9972     6.2316 
   H  27    0.6200     1.4158     6.2950     7.1535     7.0225     7.0833 
   H  28    1.4158     0.6200     6.4317     7.2234     6.7745     6.6338 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.0000     0.0000 
   H  21    2.6924     0.8769     0.0000 
   H  22    2.3532     1.2400     0.8768     0.0000 
   H  23    1.6640     2.2910     2.4531     1.6639     0.0000 
   H  24    2.5617     2.2904     3.0924     3.4950     3.9264     0.0000 
   H  25    3.8123     2.0350     2.1192     2.9671     4.3186     2.4522 
   H  26    5.4125     3.6457     3.5925     4.4680     5.9136     3.6739 
   H  27    6.2150     4.7562     4.9240     5.7716     7.0392     3.9665 
   H  28    5.7616     4.7753     5.2126     5.9583     6.9145     3.2380 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    1.6200     0.0000 
   H  27    2.8059     1.6199     0.0000 
   H  28    3.2400     2.8059     1.6200     0.0000 



ATOMIC CHARGES
   O   1   -0.4444214019
   O   2   -0.2260574577
   N   3   -0.2355330413
   N   4   -0.2400418194
   C   5    0.1067942358
   C   6   -0.0253132539
   C   7   -0.0253132539
   C   8   -0.0253132539
   C   9    0.4061381282
   C  10    0.1273647436
   C  11   -0.0214225042
   C  12   -0.0570767714
   C  13   -0.0434660858
   C  14    0.0296938183
   H  15    0.0267782879
   H  16    0.0267782879
   H  17    0.0267782879
   H  18    0.0267782879
   H  19    0.0267782879
   H  20    0.0267782879
   H  21    0.0267782879
   H  22    0.0267782879
   H  23    0.0267782879
   H  24    0.1595966718
   H  25    0.0651866097
   H  26    0.0619092168
   H  27    0.0632665873
   H  28    0.0830042408


BOND ANGLES
   5    1    9   C3   O3   C2    120.001
   9    3   10   C2  Nam  Car    119.999
   9    3   24   C2  Nam   HC    120.001
  10    3   24  Car  Nam   HC    120.001
  10    4   14  Car  Nar  Car    120.001
   1    5    6   O3   C3   C3    179.974
   1    5    7   O3   C3   C3     90.000
   1    5    8   O3   C3   C3     90.000
   6    5    7   C3   C3   C3     90.000
   6    5    8   C3   C3   C3     90.000
   7    5    8   C3   C3   C3    179.974
   5    6   15   C3   C3   HC     89.999
   5    6   16   C3   C3   HC    179.974
   5    6   23   C3   C3   HC     90.001
  15    6   16   HC   C3   HC     90.000
  15    6   23   HC   C3   HC    179.974
  16    6   23   HC   C3   HC     90.000
   5    7   17   C3   C3   HC     89.999
   5    7   18   C3   C3   HC    179.974
   5    7   19   C3   C3   HC     89.996
  17    7   18   HC   C3   HC     90.005
  17    7   19   HC   C3   HC    179.974
  18    7   19   HC   C3   HC     90.000
   5    8   20   C3   C3   HC     90.004
   5    8   21   C3   C3   HC    179.974
   5    8   22   C3   C3   HC     90.001
  20    8   21   HC   C3   HC     90.000
  20    8   22   HC   C3   HC    179.974
  21    8   22   HC   C3   HC     89.995
   1    9    2   O3   C2   O2    119.998
   1    9    3   O3   C2  Nam    120.001
   2    9    3   O2   C2  Nam    120.001
   3   10    4  Nam  Car  Nar    120.001
   3   10   11  Nam  Car  Car    120.001
   4   10   11  Nar  Car  Car    119.998
  10   11   12  Car  Car  Car    119.998
  10   11   25  Car  Car   HC    120.002
  12   11   25  Car  Car   HC    120.000
  11   12   13  Car  Car  Car    120.001
  11   12   26  Car  Car   HC    119.998
  13   12   26  Car  Car   HC    120.001
  12   13   14  Car  Car  Car    120.001
  12   13   27  Car  Car   HC    119.998
  14   13   27  Car  Car   HC    120.002
   4   14   13  Nar  Car  Car    120.001
   4   14   28  Nar  Car   HC    119.998
  13   14   28  Car  Car   HC    120.002


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