Molecule FYI-1004324

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A

Molecule Summary:

ID: FYI-1004324
Names:
InChIKey: XGRUQQAYGREQJS-UHFFFAOYSA-N
SMILES: CCC(O)N(C)N

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004324 Edit

Molecule Structure InChIKey: XGRUQQAYGREQJS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(O)N(C)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1004324
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004324-3D
FYIcenter.com

 19 18  0     1  0  0  0  0  0999 V2000
    0.5375    1.6170    0.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283   -0.1504    0.3190 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4172   -1.4955   -0.1090 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1966    0.2655   -0.1856 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3149   -0.6752    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -0.2809   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1827    0.7194   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880    0.2219   -1.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1204   -1.7139    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718   -0.6424    1.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786    0.7151    0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4412   -0.9911    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6727   -0.2850   -1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663    0.4031    0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148    0.7298   -1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446    1.7491    0.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    1.7031    1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3060   -1.7964    0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237   -1.5294   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2513👍, 0💬