
 1643-20-5

 47 46  0  0  0  0  0  0  0  0999 V2000
    0.9318   -0.2540   -0.0111 C   0  0  0  0  0
    2.4489   -0.1848    0.0513 C   0  0  0  0  0
    2.9467    1.2585   -0.0228 C   0  0  0  0  0
    4.4731    1.3210    0.0314 C   0  0  0  0  0
    4.9754    2.7651   -0.0186 C   0  0  0  0  0
    6.5025    2.8153    0.0216 C   0  0  0  0  0
    7.0201    4.2540   -0.0050 C   0  0  0  0  0
    8.5485    4.2829    0.0139 C   0  0  0  0  0
    9.0846    5.7144    0.0075 C   0  0  0  0  0
   10.6141    5.7278   -0.0007 C   0  0  0  0  0
   11.1575    7.1573    0.0286 C   0  0  0  0  0
   12.6852    7.1587    0.0064 C   0  0  0  0  0
   13.3544    8.5196    0.1062 N   0  0  0  0  0
   12.9648    9.4071   -1.0397 C   0  0  0  0  0
   13.0298    9.1947    1.4077 C   0  0  0  0  0
   14.7215    8.3285    0.0539 O   0  0  0  0  0
    0.5971   -1.2941    0.0495 H   0  0  0  0  0
    0.5586    0.1691   -0.9494 H   0  0  0  0  0
    0.4793    0.2977    0.8191 H   0  0  0  0  0
    2.8702   -0.7679   -0.7759 H   0  0  0  0  0
    2.7921   -0.6492    0.9830 H   0  0  0  0  0
    2.5246    1.8357    0.8085 H   0  0  0  0  0
    2.5930    1.7228   -0.9516 H   0  0  0  0  0
    4.8935    0.7564   -0.8098 H   0  0  0  0  0
    4.8284    0.8418    0.9517 H   0  0  0  0  0
    4.5647    3.3271    0.8291 H   0  0  0  0  0
    4.6152    3.2499   -0.9342 H   0  0  0  0  0
    6.9092    2.2633   -0.8343 H   0  0  0  0  0
    6.8625    2.3148    0.9290 H   0  0  0  0  0
    6.6285    4.8027    0.8604 H   0  0  0  0  0
    6.6527    4.7627   -0.9048 H   0  0  0  0  0
    8.9354    3.7425   -0.8583 H   0  0  0  0  0
    8.9144    3.7602    0.9059 H   0  0  0  0  0
    8.7148    6.2487    0.8914 H   0  0  0  0  0
    8.7072    6.2469   -0.8741 H   0  0  0  0  0
   10.9807    5.2121   -0.8964 H   0  0  0  0  0
   10.9909    5.1750    0.8684 H   0  0  0  0  0
   10.7857    7.6608    0.9265 H   0  0  0  0  0
   10.7664    7.7084   -0.8333 H   0  0  0  0  0
   13.0599    6.7165   -0.9257 H   0  0  0  0  0
   13.0893    6.5746    0.8429 H   0  0  0  0  0
   13.1953    8.8734   -1.9658 H   0  0  0  0  0
   13.5625   10.3204   -0.9652 H   0  0  0  0  0
   11.9000    9.6367   -0.9609 H   0  0  0  0  0
   13.2875    8.5027    2.2141 H   0  0  0  0  0
   11.9680    9.4486    1.4182 H   0  0  0  0  0
   13.6416   10.0991    1.4694 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 16  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
M  CHG  2  13   1  16  -1
M  END

>  <Chemical Name>
1643-20-5

>  <PubChem CID>
15433

>  <Formula>
C14H31NO

>  <Molecular Weight>
229.408000

>  <IUPAC Name>
N,N-dimethyldodecan-1-amine oxide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCCCCCCCC[N+](C)(C)[O-]

>  <Isomeric SMILES>
CCCCCCCCCCCC[N+](C)(C)[O-]

>  <InChI Std. ID>
InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3

>  <InChI Key>
SYELZBGXAIXKHU-UHFFFAOYSA-N

