Molecule FYI-1004353

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Molecule Summary:

ID: FYI-1004353
Names:
InChIKey: PVFDVUMXTHUUNU-UHFFFAOYSA-N
SMILES: CCNCCCNC

Received at FYIcenter.com on: 2023-09-01

Molecule ID: FYI-1004353 Edit

Molecule Structure InChIKey: PVFDVUMXTHUUNU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNCCCNC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004353
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004353-3D
FYIcenter.com

 24 23  0     0  0  0  0  0  0999 V2000
   -1.8673    0.3418   -0.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0582    0.5154   -0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085    0.4292   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436   -0.4506   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9066   -0.3799   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0427   -0.5176    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3220    0.3021    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3022   -0.2404    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5911    1.0756    0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5851    1.0928   -0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194   -1.0938    0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -1.1029   -0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9280   -1.0446    0.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299   -1.0045   -0.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8863    0.9456   -0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0472   -1.1705   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355   -1.1568    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    1.1166    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3720    0.9492    0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3929    0.9330   -0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1947   -0.3587    0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3989   -0.8757   -0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763   -0.8633    0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1494    0.4525    0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  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 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1764👍, 0💬