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2-methylpropan-1-amine
2-methylpropan-1-amine ID: AN-23960
CAS:78-81-9
Supplier:AN PharmaTech Co Ltd

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SMILES:NCC(C)C	6558
FORMULA: C4H11N
MASS: 73.1368
EXACT MASS: 73.0891494
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      H   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.7321     0.0000 
   C   3    1.0001     1.0000     0.0000 
   C   4    2.6458     1.0000     1.7320     0.0000 
   C   5    2.0000     1.0000     1.7320     1.7320     0.0000 
   H   6    1.8397     0.6200     0.8743     0.8743     1.6200     0.0000 
   H   7    1.5968     1.0813     0.6200     1.4156     2.0296     0.5870 
   H   8    1.0813     1.5968     0.6201     2.1829     2.3452     1.3135 
   H   9    2.9083     1.1766     2.1114     0.6200     1.5200     1.3470 
   H  10    3.2380     1.6200     2.2901     0.6201     2.2901     1.4158 
   H  11    2.5121     1.1766     1.5200     0.6200     2.1114     0.6949 
   H  12    1.4956     1.1766     1.5200     2.1114     0.6200     1.7346 
   H  13    2.3716     1.6200     2.2901     2.2901     0.6200     2.2400 
   H  14    2.5559     1.1766     2.1114     1.5200     0.6200     1.7346 
   H  15    0.6200     2.2901     1.4158     3.1408     2.6200     2.2901 
   H  16    0.6200     1.8397     1.4158     2.8292     1.7733     2.1302 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.7971     0.0000 
   H   9    1.9300     2.6421     0.0000 
   H  10    1.8778     2.6727     0.8768     0.0000 
   H  11    1.0254     1.8217     1.2399     0.8769     0.0000 
   H  12    1.9809     2.0775     2.0379     2.7145     2.3520     0.0000 
   H  13    2.6368     2.8867     1.9721     2.8059     2.7145     0.8768 
   H  14    2.2546     2.7299     1.1121     1.9721     2.0379     1.2400 
   H  15    1.9203     1.2046     3.4624     3.7059     2.9170     2.1060 
   H  16    2.0355     1.6621     2.9660     3.4458     2.8250     1.1752 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    2.9788     3.1721     0.0000 
   H  16    2.0000     2.3826     1.0739     0.0000 



ATOMIC CHARGES
   N   1   -0.3297349897
   C   2   -0.0343654588
   C   3   -0.0045739129
   C   4   -0.0615179931
   C   5   -0.0615179931
   H   6    0.0307639481
   H   7    0.0424327239
   H   8    0.0424327239
   H   9    0.0232726099
   H  10    0.0232726099
   H  11    0.0232726099
   H  12    0.0232726099
   H  13    0.0232726099
   H  14    0.0232726099
   H  15    0.1182226461
   H  16    0.1182226461


BOND ANGLES
   3    1   15   C3   N3   HC    120.000
   3    1   16   C3   N3   HC    119.998
  15    1   16   HC   N3   HC    120.002
   3    2    4   C3   C3   C3    119.999
   3    2    5   C3   C3   C3    120.001
   3    2    6   C3   C3   HC     59.999
   4    2    5   C3   C3   C3    120.001
   4    2    6   C3   C3   HC     59.999
   5    2    6   C3   C3   HC    179.974
   1    3    2   N3   C3   C3    120.001
   1    3    7   N3   C3   HC    159.993
   1    3    8   N3   C3   HC     79.996
   2    3    7   C3   C3   HC     80.006
   2    3    8   C3   C3   HC    160.003
   7    3    8   HC   C3   HC     79.997
   2    4    9   C3   C3   HC     90.001
   2    4   10   C3   C3   HC    179.974
   2    4   11   C3   C3   HC     89.999
   9    4   10   HC   C3   HC     89.995
   9    4   11   HC   C3   HC    179.974
  10    4   11   HC   C3   HC     90.005
   2    5   12   C3   C3   HC     90.000
   2    5   13   C3   C3   HC    179.974
   2    5   14   C3   C3   HC     90.000
  12    5   13   HC   C3   HC     90.000
  12    5   14   HC   C3   HC    179.974
  13    5   14   HC   C3   HC     90.000


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