
 27692-91-7

 34 34  0  0  0  0  0  0  0  0999 V2000
    1.6816   -1.9240   -0.1525 C   0  0  0  0  0
    2.8703   -1.6968    0.7689 C   0  0  0  0  0
    4.0855   -1.4413   -0.0162 N   0  0  0  0  0
    4.2736   -0.0534   -0.4854 C   0  0  0  0  0
    4.3845    0.0193   -2.0277 C   0  0  0  0  0
    4.8559    1.3228   -2.5491 N   0  0  0  0  0
    3.9615    2.4229   -2.1922 C   0  0  0  0  0
    4.9991    1.2484   -4.0058 C   0  0  0  0  0
    5.1550   -2.3362    0.0370 C   0  0  0  0  0
    4.9566   -3.7109    0.2605 C   0  0  0  0  0
    6.0214   -4.6204    0.3334 C   0  0  0  0  0
    7.3270   -4.1808    0.1656 C   0  0  0  0  0
    7.5611   -2.8365   -0.0884 C   0  0  0  0  0
    6.4889   -1.9361   -0.1577 C   0  0  0  0  0
    0.7841   -2.1444    0.4340 H   0  0  0  0  0
    1.8612   -2.7615   -0.8343 H   0  0  0  0  0
    1.4756   -1.0359   -0.7591 H   0  0  0  0  0
    2.9727   -2.5459    1.4530 H   0  0  0  0  0
    2.6649   -0.8375    1.4197 H   0  0  0  0  0
    5.1340    0.4145    0.0063 H   0  0  0  0  0
    3.4096    0.5515   -0.1821 H   0  0  0  0  0
    3.4101   -0.2390   -2.4646 H   0  0  0  0  0
    5.0848   -0.7537   -2.3670 H   0  0  0  0  0
    4.3198    3.3647   -2.6240 H   0  0  0  0  0
    3.9430    2.5795   -1.1089 H   0  0  0  0  0
    2.9364    2.2535   -2.5396 H   0  0  0  0  0
    4.0424    1.0561   -4.5053 H   0  0  0  0  0
    5.7013    0.4557   -4.2872 H   0  0  0  0  0
    5.4119    2.1839   -4.3999 H   0  0  0  0  0
    3.9538   -4.1151    0.3605 H   0  0  0  0  0
    5.8212   -5.6726    0.5148 H   0  0  0  0  0
    8.1562   -4.8802    0.2233 H   0  0  0  0  0
    8.5759   -2.4762   -0.2336 H   0  0  0  0  0
    6.7408   -0.8993   -0.3591 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
M  END

>  <Chemical Name>
27692-91-7

>  <PubChem CID>
33984

>  <Formula>
C12H20N2

>  <Molecular Weight>
192.306000

>  <IUPAC Name>
N'-ethyl-N,N-dimethyl-N'-phenylethane-1,2-diamine

>  <XlogP>
2.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CCN(C)C)C1=CC=CC=C1

>  <Isomeric SMILES>
CCN(CCN(C)C)C1=CC=CC=C1

>  <InChI Std. ID>
InChI=1S/C12H20N2/c1-4-14(11-10-13(2)3)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3

>  <InChI Key>
FWAWELGQRMERND-UHFFFAOYSA-N

