
 6711-46-2

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.5932   -1.6830   -0.9538 C   0  0  0  0  0
    3.5997   -0.6519   -0.6375 N   0  0  0  0  0
    2.8292   -1.0544    0.5394 C   0  0  0  0  0
    4.2882    0.6441   -0.4315 C   0  0  0  0  0
    3.3588    1.8664   -0.2373 C   0  0  0  0  0
    2.3991    1.9513   -1.3377 N   0  0  0  0  0
    1.4030    2.9307   -1.2909 C   0  0  0  0  0
    0.2101    2.7207   -1.9965 C   0  0  0  0  0
   -0.7879    3.6997   -2.0495 C   0  0  0  0  0
   -0.5945    4.9261   -1.4213 C   0  0  0  0  0
    0.5997    5.1718   -0.7513 C   0  0  0  0  0
    1.5908    4.1856   -0.6976 C   0  0  0  0  0
    5.1471   -1.4220   -1.8639 H   0  0  0  0  0
    4.1055   -2.6455   -1.1518 H   0  0  0  0  0
    5.3157   -1.8245   -0.1403 H   0  0  0  0  0
    2.3770   -2.0410    0.3851 H   0  0  0  0  0
    1.9967   -0.3662    0.7194 H   0  0  0  0  0
    3.4472   -1.0997    1.4438 H   0  0  0  0  0
    4.9000    0.8513   -1.3203 H   0  0  0  0  0
    4.9765    0.5854    0.4221 H   0  0  0  0  0
    3.9892    2.7630   -0.2066 H   0  0  0  0  0
    2.8332    1.7873    0.7224 H   0  0  0  0  0
    2.0414    1.0226   -1.5665 H   0  0  0  0  0
    0.0466    1.7801   -2.5165 H   0  0  0  0  0
   -1.7091    3.5053   -2.5928 H   0  0  0  0  0
   -1.3624    5.6924   -1.4693 H   0  0  0  0  0
    0.7712    6.1363   -0.2816 H   0  0  0  0  0
    2.5217    4.4301   -0.1976 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
M  END

>  <Chemical Name>
6711-46-2

>  <PubChem CID>
81206

>  <Formula>
C10H16N2

>  <Molecular Weight>
164.252000

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

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCNC1=CC=CC=C1

>  <Isomeric SMILES>
CN(C)CCNC1=CC=CC=C1

>  <InChI Std. ID>
InChI=1S/C10H16N2/c1-12(2)9-8-11-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3

>  <InChI Key>
FRCVOKAWJJIJHQ-UHFFFAOYSA-N

