Molecule FYI-1002490

A

Molecule Summary:

ID: FYI-1002490
Names: METHACRYLIC ACID 2-(DIMETHYLAMINO)ETHYL ESTER; 2-(DIMETHYLAMINO)ETHYL METHACRYLATE;
InChIKey: JKNCOURZONDCGV-UHFFFAOYSA-N
SMILES: CC(=C)C(=O)OCCN(C)C

Received at FYIcenter.com on: 2023-04-04

Molecule ID: FYI-1002490 Edit

Molecule Names: 2-(DIMETHYLAMINO)ETHYL METHACRYLATE; METHACRYLIC ACID 2-(DIMETHYLAMINO)ETHYL ESTER;

Molecule Structure InChIKey: JKNCOURZONDCGV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=C)C(=O)OCCN(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002490
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002490-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
    0.5129    0.2780   -0.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6371   -1.7182   -0.2617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1556   -0.0329   -0.2616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8626    0.6146   -0.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7371   -0.4037   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2382    0.9530   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3589   -1.0531    0.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233   -0.5065   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393    0.3366    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7121    1.8162    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0278   -0.2840    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    1.1580    0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110    1.3655   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561   -0.9137   -1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912   -1.1452    0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1074    1.7030   -1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2865    1.4704    0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2056    0.4724   -0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7344   -1.9354    0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3893   -1.4283    0.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1791   -0.6689    1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2128    2.2771   -0.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330    2.0356    1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888    2.2994    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506    0.2754    0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1258   -1.3550   -0.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 703👍, 0💬