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ETHYL 3-METHYLAMINOCROTONATE ethyl 3-(methylamino)-2-butenoate
ETHYL 3-METHYLAMINOCROTONATE
ethyl 3-(methylamino)-2-butenoate ID: BBC/457
CAS:870-85-9
Supplier:Aronis

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SMILES:C(=C(\NC)/C)\C(=O)OCC	
FORMULA: C7H13NO2
MASS: 143.1836
EXACT MASS: 143.0946287
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      N   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3335     0.0000 
   C   3    1.3308     2.3042     0.0000 
   O   4    2.3097     1.3376     2.6562     0.0000 
   N   5    2.3055     2.6559     1.3333     2.2876     0.0000 
   O   6    2.3084     1.3282     3.5207     2.3088     3.9841     0.0000 
   C   7    2.3000     3.5154     1.3235     3.9797     2.3013     4.6084 
   C   8    3.5152     3.9794     2.3013     3.4935     1.3235     5.3076 
   C   9    3.5276     2.3084     4.6126     2.6720     4.7922     1.3313 
   C  10    4.6127     3.5192     5.7996     3.9966     6.0875     2.3043 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.6583     0.0000 
   C   9    5.8002     6.0835     0.0000 
   C  10    6.9127     7.3897     1.3246     0.0000 



ATOMIC CHARGES
   C   1    0.0935424483
   C   2    0.3423905843
   C   3    0.0498730202
   O   4   -0.2448552048
   N   5   -0.2397902482
   O   6   -0.4454085069
   C   7    0.0490075841
   C   8    0.1350641205
   C   9    0.2088942201
   C  10    0.0512819822


BOND ANGLES
   2    1    3   C2   C2   C2    119.733
   1    2    4   C2   C2   O2    119.696
   1    2    6   C2   C2   O3    120.289
   4    2    6   O2   C2   O3    120.015
   1    3    5   C2   C2  Npl    119.855
   1    3    7   C2   C2   C3    120.108
   5    3    7  Npl   C2   C3    120.036
   3    5    8   C2  Npl   C3    120.036
   2    6    9   C2   O3   C3    120.445
   6    9   10   O3   C3   C3    120.358


TORSION ANGLES
   4    2    1    3      0.026
   6    2    1    3    179.974
   5    3    1    2      0.026
   7    3    1    2    179.974
   8    5    3    1    179.974
   8    5    3    7      0.026
   9    6    2    1    179.974
   9    6    2    4      0.026
  10    9    6    2    179.974