Molecule FYI-1005185

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A

Molecule Summary:

ID: FYI-1005185
Names:
InChIKey: QATXMCVRIZSPJU-UHFFFAOYSA-N
SMILES: CCCCCN(CCO)CCO

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005185 Edit

Molecule Structure InChIKey: QATXMCVRIZSPJU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCN(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1005185
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005185-3D
FYIcenter.com

 33 32  0     0  0  0  0  0  0999 V2000
    3.2365    2.8751   -0.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3110   -3.3830   -0.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9392    0.0156    0.2316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2982    0.6387   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5054   -0.1560    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154    0.4689   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007    0.7722   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0168   -1.3721   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269   -0.3030    0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0854    2.1845    0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -2.0364    0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3295    0.2954   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161    1.6456    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263    0.7194   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5182   -1.1789   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5004   -0.2100    1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8743    1.5109    0.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8322    0.4835   -1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553    0.8022   -1.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474    0.3473    0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647   -1.4485   -1.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.9884    0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9678   -1.3506   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0287   -0.2956    1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057    2.1770    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2307    2.7734   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3412   -2.0352    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2003   -1.5946   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1824   -0.2711    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4363    1.3350    0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3734    0.2713   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2125    3.7670    0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454   -3.8398    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 32  1  0  0  0  0
  2 11  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 2015👍, 0💬