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2-Azetidinemethanamine
2-Azetidinemethanamine ID: API-28960
CAS:103550-76-1
Supplier:APIchem

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SMILES:N1C(CC1)CN	ChemMol.com
FORMULA: C4H10N2
MASS: 86.1356
EXACT MASS: 86.0843983
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.7103     0.0000 
   C   3    1.0000     1.7320     0.0000 
   C   4    1.4142     2.2128     1.0000     0.0000 
   C   5    1.0000     3.0401     1.4142     1.0000     0.0000 
   C   6    1.8478     1.0000     1.0000     1.8478     2.4142     0.0000 
   H   7    0.9538     1.9144     0.6200     1.5906     1.7480     0.9539 
   H   8    1.9038     2.6602     1.6200     0.6200     1.1766     2.4322 
   H   9    1.9038     1.7906     1.1766     0.6200     1.6200     1.7093 
   H  10    1.1766     3.5974     1.9038     1.6200     0.6200     2.8861 
   H  11    1.6200     3.3798     1.9038     1.1766     0.6200     2.8861 
   H  12    0.6200     3.1114     1.5037     2.0342     1.5037     2.1623 
   H  13    2.3426     1.0812     1.5967     2.4673     3.0043     0.6200 
   H  14    1.6023     1.5967     1.0812     2.0723     2.3860     0.6200 
   H  15    3.2353     0.6200     2.2900     2.8315     3.6387     1.4157 
   H  16    2.8375     0.6200     1.8397     2.0207     2.9581     1.4158 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    2.2056     0.0000 
   H   9    1.7913     0.8768     0.0000 
   H  10    2.0942     1.7346     2.2400     0.0000 
   H  11    2.3217     1.0000     1.7346     0.8768     0.0000 
   H  12    1.2086     2.5112     2.5112     1.4498     2.1046     0.0000 
   H  13    1.3929     3.0472     2.2957     3.4426     3.4962     2.5468 
   H  14    0.6562     2.6901     2.1052     2.7503     2.9385     1.7526 
   H  15    2.3696     3.2774     2.4050     4.1813     3.9955     3.5780 
   H  16    2.1935     2.3497     1.4812     3.5564     3.1918     3.3245 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    1.2046     1.9203     0.0000 
   H  16    1.6621     2.0354     1.0739     0.0000 



ATOMIC CHARGES
   N   1   -0.3119568887
   N   2   -0.3285079485
   C   3    0.0210507652
   C   4   -0.0237752654
   C   5   -0.0023611832
   C   6    0.0085617671
   H   7    0.0473080608
   H   8    0.0292901505
   H   9    0.0292901505
   H  10    0.0424565168
   H  11    0.0424565168
   H  12    0.1222411389
   H  13    0.0437048515
   H  14    0.0437048515
   H  15    0.1182682581
   H  16    0.1182682581


BOND ANGLES
   3    1    5   C3   N3   C3     90.000
   3    1   12   C3   N3   HC    135.000
   5    1   12   C3   N3   HC    135.000
   6    2   15   C3   N3   HC    120.001
   6    2   16   C3   N3   HC    120.002
  15    2   16   HC   N3   HC    119.998
   1    3    4   N3   C3   C3     90.000
   1    3    6   N3   C3   C3    135.000
   1    3    7   N3   C3   HC     67.497
   4    3    6   C3   C3   C3    135.000
   4    3    7   C3   C3   HC    157.497
   6    3    7   C3   C3   HC     67.503
   3    4    5   C3   C3   C3     90.000
   3    4    8   C3   C3   HC    179.974
   3    4    9   C3   C3   HC     90.000
   5    4    8   C3   C3   HC     90.000
   5    4    9   C3   C3   HC    179.974
   8    4    9   HC   C3   HC     90.000
   1    5    4   N3   C3   C3     90.000
   1    5   10   N3   C3   HC     90.000
   1    5   11   N3   C3   HC    179.974
   4    5   10   C3   C3   HC    179.974
   4    5   11   C3   C3   HC     90.000
  10    5   11   HC   C3   HC     90.000
   2    6    3   N3   C3   C3    120.001
   2    6   13   N3   C3   HC     80.001
   2    6   14   N3   C3   HC    160.002
   3    6   13   C3   C3   HC    159.998
   3    6   14   C3   C3   HC     79.997
  13    6   14   HC   C3   HC     80.001


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


CHIRAL ATOMS
   9    4    5   11    180.000