Sign In Join Free

Products Information

3-(hydroxymethyl)-5,5-dimethyl-imidazolidine-2,4-dione
3-(hydroxymethyl)-5,5-dimethyl-imidazolidine-2,4-dione ID: AN-17437
CAS:16228-00-5
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:O=C1N(C(=O)NC1(C)C)CO	85341
FORMULA: C6H10N2O3
MASS: 158.1552
EXACT MASS: 158.0691422
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.5202     0.0000 
   O   3    3.1719     1.9907     0.0000 
   N   4    2.5876     1.7821     3.0608     0.0000 
   N   5    1.7820     1.7820     1.7321     1.6180     0.0000 
   C   6    1.7821     2.5876     3.3317     1.0000     1.6180     0.0000 
   C   7    1.0001     2.5876     2.6767     1.6180     1.0000     0.9999 
   C   8    1.5993     3.5740     4.0715     1.9753     2.3494     0.9999 
   C   9    2.5876     3.1963     4.2636     1.4142     2.5876     1.0000 
   C  10    2.5876     1.0001     2.0886     0.9999     1.0000     1.6180 
   C  11    2.1756     2.1756     1.0001     2.5876     1.0000     2.5876 
   H  12    3.1610     1.9763     3.5404     0.6201     2.2160     1.4538 
   H  13    0.9865     3.5409     3.7284     2.1609     2.0691     1.1766 
   H  14    1.7829     4.1888     4.5800     2.5895     2.8851     1.6200 
   H  15    2.2161     3.7118     4.4746     1.9756     2.7436     1.1766 
   H  16    2.3490     3.6610     4.5007     1.9038     2.7749     1.1766 
   H  17    3.1437     3.6610     4.8550     1.9038     3.1981     1.6200 
   H  18    2.9399     2.7925     4.1071     1.0698     2.5416     1.1766 
   H  19    2.4210     2.7118     1.0813     3.2016     1.5967     3.1347 
   H  20    1.6410     2.6442     1.5968     2.6729     1.0813     2.4337 
   H  21    3.5568     2.5599     0.6200     3.6771     2.2901     3.9055 

              C   7      C   8      C   9      C  10      C  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4141     0.0000 
   C   9    1.9753     1.1755     0.0000 
   C  10    1.6180     2.5875     2.3494     0.0000 
   C  11    1.7820     3.1961     3.5739     1.7820     0.0000 
   H  12    2.2160     2.3235     1.4527     1.4537     3.1609     0.0000 
   H  13    1.0697     0.6200     1.7162     2.5416     2.7924     2.6263 
   H  14    1.9037     0.6200     1.6196     3.1981     3.6609     2.9052 
   H  15    1.9037     0.6200     0.7661     2.7748     3.6609     2.1607 
   H  16    1.9756     0.7662     0.6200     2.7436     3.7118     2.0461 
   H  17    2.5895     1.6196     0.6200     2.8851     4.1887     1.7643 
   H  18    2.1609     1.7163     0.6200     2.0691     3.5408     0.8959 
   H  19    2.2510     3.6473     4.1315     2.3986     0.6200     3.7795 
   H  20    1.4934     2.8662     3.4330     2.0509     0.6200     3.2829 
   H  21    3.1840     4.5948     4.8550     2.7084     1.4158     4.1604 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2400     0.8769     0.0000 
   H  16    1.3831     1.0474     0.1723     0.0000 
   H  17    2.2176     1.9044     1.0474     0.8768     0.0000 
   H  18    2.1787     2.2177     1.3831     1.2400     0.8768     0.0000 
   H  19    3.1807     4.0575     4.1543     4.2202     4.7501     4.1348 
   H  20    2.3854     3.2620     3.3925     3.4688     4.0527     3.5081 
   H  21    4.2078     5.0745     5.0288     5.0645     5.4527     4.7182 

              H  19      H  20      H  21
              ---------------------------------
   H  19    0.0000 
   H  20    0.7970     0.0000 
   H  21    1.2046     1.9203     0.0000 



ATOMIC CHARGES
   O   1   -0.2727373633
   O   2   -0.2521194279
   O   3   -0.3764462842
   N   4   -0.2853766895
   N   5   -0.2003353461
   C   6    0.1070290143
   C   7    0.2477411886
   C   8   -0.0353393963
   C   9   -0.0353393963
   C  10    0.3111437779
   C  11    0.1212865310
   H  12    0.1512650776
   H  13    0.0254895201
   H  14    0.0254895201
   H  15    0.0254895201
   H  16    0.0254895201
   H  17    0.0254895201
   H  18    0.0254895201
   H  19    0.0774106624
   H  20    0.0774106624
   H  21    0.2114698685


BOND ANGLES
  11    3   21   C3   O3   HO    119.998
   6    4   10   C3  Nam   C2    108.000
   6    4   12   C3  Nam   HC    126.005
  10    4   12   C2  Nam   HC    125.995
   7    5   10   C2  Nam   C2    107.997
   7    5   11   C2  Nam   C3    126.001
  10    5   11   C2  Nam   C3    126.001
   4    6    7  Nam   C3   C2    108.000
   4    6    8  Nam   C3   C3    162.000
   4    6    9  Nam   C3   C3     90.000
   7    6    8   C2   C3   C3     90.000
   7    6    9   C2   C3   C3    162.000
   8    6    9   C3   C3   C3     72.000
   1    7    5   O2   C2  Nam    125.995
   1    7    6   O2   C2   C3    126.004
   5    7    6  Nam   C2   C3    108.001
   6    8   13   C3   C3   HC     90.002
   6    8   14   C3   C3   HC    179.974
   6    8   15   C3   C3   HC     90.001
  13    8   14   HC   C3   HC     89.997
  13    8   15   HC   C3   HC    179.974
  14    8   15   HC   C3   HC     90.000
   6    9   16   C3   C3   HC     90.000
   6    9   17   C3   C3   HC    179.974
   6    9   18   C3   C3   HC     90.000
  16    9   17   HC   C3   HC     90.000
  16    9   18   HC   C3   HC    179.974
  17    9   18   HC   C3   HC     90.000
   2   10    4   O2   C2  Nam    126.004
   2   10    5   O2   C2  Nam    125.995
   4   10    5  Nam   C2  Nam    108.001
   3   11    5   O3   C3  Nam    119.998
   3   11   19   O3   C3   HC     79.998
   3   11   20   O3   C3   HC    159.996
   5   11   19  Nam   C3   HC    160.004
   5   11   20  Nam   C3   HC     80.006
  19   11   20   HC   C3   HC     79.998


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