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4-Amino-N-methylphthalimide
4-Amino-N-methylphthalimide ID: API-45519
CAS:2307-00-8
Supplier:APIchem

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SMILES:O=C1N(C(=O)c2c1cc(N)cc2)C	ChemMol.com
FORMULA: C9H8N2O2
MASS: 176.1720
EXACT MASS: 176.0585775
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.5104     0.0000 
   N   3    1.7763     1.7763     0.0000 
   N   4    3.9283     4.7384     4.2473     0.0000 
   C   5    1.7763     2.5818     1.6094     2.6458     0.0000 
   C   6    2.5818     1.7763     1.6094     3.0000     1.0000     0.0000 
   C   7    1.0000     2.5787     0.9940     3.5497     0.9941     1.6117 
   C   8    2.5787     1.0000     0.9940     3.9773     1.6117     0.9941 
   C   9    2.2532     3.4782     2.5961     1.7321     1.0000     1.7320 
   C  10    3.4782     2.2532     2.5961     2.6458     1.7320     1.0000 
   C  11    3.2418     3.7443     3.2999     1.0001     1.7320     2.0000 
   C  12    3.7443     3.2418     3.2999     1.7321     2.0000     1.7320 
   C  13    2.1682     2.1682     1.0000     5.2245     2.5787     2.5787 
   H  14    2.1272     3.9873     2.8921     1.8397     1.4158     2.2901 
   H  15    3.9873     2.1272     2.8921     3.1408     2.2901     1.4158 
   H  16    4.3603     3.6504     3.8842     1.8397     2.6200     2.2901 
   H  17    2.6948     1.7056     1.1766     5.3777     2.7666     2.5326 
   H  18    2.5814     2.5814     1.6200     5.8342     3.1892     3.1892 
   H  19    1.7056     2.6948     1.1766     5.1420     2.5326     2.7666 
   H  20    4.5192     5.0267     4.7156     0.6200     3.1408     3.3533 
   H  21    3.8574     5.1238     4.4344     0.6200     2.8292     3.3533 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6094     0.0000 
   C   9    1.8227     2.5575     0.0000 
   C  10    2.5575     1.8227     2.0000     0.0000 
   C  11    2.6955     2.9791     1.0000     1.7320     0.0000 
   C  12    2.9791     2.6955     1.7320     1.0000     1.0000     0.0000 
   C  13    1.7763     1.7763     3.5400     3.5400     4.2910     4.2910 
   H  14    1.9872     3.0271     0.6200     2.6200     1.4158     2.2901 
   H  15    3.0271     1.9872     2.6200     0.6200     2.2901     1.4158 
   H  16    3.5979     3.2152     2.2901     1.4158     1.4158     0.6201 
   H  17    2.1302     1.5943     3.7624     3.4170     4.4065     4.2635 
   H  18    2.3459     2.3459     4.1384     4.1384     4.9073     4.9073 
   H  19    1.5943     2.1302     3.4170     3.7624     4.2635     4.4065 
   H  20    4.0828     4.3463     2.2901     2.8292     1.4158     1.8397 
   H  21    3.6369     4.2943     1.8397     3.1408     1.4158     2.2901 

              C  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   H  14    3.7624     0.0000 
   H  15    3.7624     3.2400     0.0000 
   H  16    4.8667     2.8059     1.6200     0.0000 
   H  17    0.6200     4.0681     3.5400     4.8026     0.0000 
   H  18    0.6200     4.3302     4.3302     5.4790     0.8768     0.0000 
   H  19    0.6200     3.5400     4.0681     5.0073     1.2400     0.8768 
   H  20    5.7067     2.4522     3.2380     1.7320     5.8143     6.3226 
   H  21    5.3777     1.7321     3.6739     2.4522     5.5958     5.9718 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    5.6652     0.0000 
   H  21    5.2245     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.2695392922
   O   2   -0.2695401028
   N   3   -0.2372258737
   N   4   -0.3579424714
   C   5    0.0511295584
   C   6    0.0495121691
   C   7    0.2536368974
   C   8    0.2535800575
   C   9   -0.0281843228
   C  10   -0.0471483885
   C  11    0.0252986296
   C  12   -0.0402946814
   C  13    0.0114552998
   H  14    0.0643580597
   H  15    0.0625807420
   H  16    0.0636085548
   H  17    0.0433564433
   H  18    0.0433564433
   H  19    0.0433564433
   H  20    0.1423229175
   H  21    0.1423229175


BOND ANGLES
   7    3    8   C2  Nam   C2    108.098
   7    3   13   C2  Nam   C3    125.951
   8    3   13   C2  Nam   C3    125.951
  11    4   20  Car  Npl   HC    120.000
  11    4   21  Car  Npl   HC    119.998
  20    4   21   HC  Npl   HC    120.002
   6    5    7  Car  Car   C2    107.850
   6    5    9  Car  Car  Car    120.001
   7    5    9   C2  Car  Car    132.149
   5    6    8  Car  Car   C2    107.850
   5    6   10  Car  Car  Car    120.001
   8    6   10   C2  Car  Car    132.149
   1    7    3   O2   C2  Nam    125.947
   1    7    5   O2   C2  Car    125.951
   3    7    5  Nam   C2  Car    108.101
   2    8    3   O2   C2  Nam    125.947
   2    8    6   O2   C2  Car    125.951
   3    8    6  Nam   C2  Car    108.101
   5    9   11  Car  Car  Car    119.999
   5    9   14  Car  Car   HC    120.001
  11    9   14  Car  Car   HC    120.001
   6   10   12  Car  Car  Car    119.999
   6   10   15  Car  Car   HC    120.001
  12   10   15  Car  Car   HC    120.001
   4   11    9  Npl  Car  Car    120.001
   4   11   12  Npl  Car  Car    119.998
   9   11   12  Car  Car  Car    120.001
  10   12   11  Car  Car  Car    120.001
  10   12   16  Car  Car   HC    120.002
  11   12   16  Car  Car   HC    119.997
   3   13   17  Nam   C3   HC     90.000
   3   13   18  Nam   C3   HC    179.974
   3   13   19  Nam   C3   HC     90.000
  17   13   18   HC   C3   HC     90.000
  17   13   19   HC   C3   HC    179.974
  18   13   19   HC   C3   HC     90.000


TORSION ANGLES
   8    3    7    1    179.974
   8    3    7    5      0.026
  13    3    7    1      0.026
  13    3    7    5    179.974
   7    3    8    2    179.974
   7    3    8    6      0.026
  13    3    8    2      0.026
  13    3    8    6    179.974
   7    3   13   17    179.974
   7    3   13   18    180.000
   7    3   13   19      0.026
   8    3   13   17      0.026
   8    3   13   18    180.000
   8    3   13   19    179.974
  20    4   11    9    179.974
  20    4   11   12      0.026
  21    4   11    9      0.026
  21    4   11   12    179.974
   7    5    6    8      0.026
   7    5    6   10    179.974
   9    5    6    8    179.974
   9    5    6   10      0.026
   6    5    7    1    179.974
   6    5    7    3      0.026
   9    5    7    1      0.026
   9    5    7    3    179.974
   6    5    9   11      0.026
   6    5    9   14    179.974
   7    5    9   11    179.974
   7    5    9   14      0.026
   5    6    8    2    179.974
   5    6    8    3      0.026
  10    6    8    2      0.026
  10    6    8    3    179.974
   5    6   10   12      0.026
   5    6   10   15    179.974
   8    6   10   12    179.974
   8    6   10   15      0.026
   5    9   11    4    179.974
   5    9   11   12      0.026
  14    9   11    4      0.026
  14    9   11   12    179.974
   6   10   12   11      0.026
   6   10   12   16    179.974
  15   10   12   11    179.974
  15   10   12   16      0.026
   4   11   12   10    179.974
   4   11   12   16      0.026
   9   11   12   10      0.026
   9   11   12   16    179.974