Molecule FYI-1002079

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Molecule Summary:

ID: FYI-1002079
Names:
InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N
SMILES: NCCCN

Received at FYIcenter.com on: 2023-01-25

Molecule ID: FYI-1002079 Edit

Molecule Structure InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1002079
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    5.0373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.3124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002079-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
    2.4584    0.3423    0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4699    0.3333   -0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073    0.3380    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2776   -0.5142   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2734   -0.4995    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0145    0.9933    0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    0.9935   -0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2980   -1.1540   -0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984   -1.1642    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2962   -1.1407    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2938   -1.1583   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623    0.9318   -0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955   -0.2363   -0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4560    0.9388   -0.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.9570    0.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
$$$$

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2023-02-04, 1459👍, 0💬