
 1H-Imidazole-4-ethanamine, 1-(phenylmethyl)-

 30 31  0  0  0  0  0  0  0  0999 V2000
    3.1424    2.1868   -3.9235 C   0  0  0  0  0
    4.0443    2.3720   -2.8779 C   0  0  0  0  0
    3.9091    1.6369   -1.6992 C   0  0  0  0  0
    2.8657    0.7105   -1.5534 C   0  0  0  0  0
    1.9670    0.5296   -2.6153 C   0  0  0  0  0
    2.1052    1.2657   -3.7932 C   0  0  0  0  0
    2.7298   -0.0955   -0.2880 C   0  0  0  0  0
    3.4727   -1.3399   -0.3667 N   0  0  0  0  0
    4.7617   -1.5446    0.0430 C   0  0  0  0  0
    5.0029   -2.8843   -0.1823 C   0  0  0  0  0
    3.8801   -3.4911   -0.6971 N   0  0  0  0  0
    2.9821   -2.5375   -0.8017 C   0  0  0  0  0
    6.2453   -3.6659    0.0648 C   0  0  0  0  0
    6.2258   -4.3441    1.4373 C   0  0  0  0  0
    7.4566   -5.1008    1.6880 N   0  0  0  0  0
    3.2516    2.7562   -4.8430 H   0  0  0  0  0
    4.8576    3.0858   -2.9831 H   0  0  0  0  0
    4.6292    1.7889   -0.8979 H   0  0  0  0  0
    1.1549   -0.1899   -2.5373 H   0  0  0  0  0
    1.4067    1.1162   -4.6126 H   0  0  0  0  0
    1.6796   -0.3380   -0.0861 H   0  0  0  0  0
    3.1000    0.4660    0.5780 H   0  0  0  0  0
    5.3831   -0.7544    0.4387 H   0  0  0  0  0
    1.9758   -2.6611   -1.1799 H   0  0  0  0  0
    7.1156   -3.0024   -0.0127 H   0  0  0  0  0
    6.3538   -4.4220   -0.7231 H   0  0  0  0  0
    5.3674   -5.0220    1.5134 H   0  0  0  0  0
    6.1128   -3.5912    2.2262 H   0  0  0  0  0
    7.5395   -5.8397    0.9894 H   0  0  0  0  0
    7.3737   -5.5746    2.5870 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
1H-Imidazole-4-ethanamine, 1-(phenylmethyl)-

>  <PubChem CID>
44271204

>  <Formula>
C12H15N3

>  <Molecular Weight>
201.273000

>  <IUPAC Name>
2-(1-benzylimidazol-4-yl)ethanamine

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)CN2C=C(N=C2)CCN

>  <Isomeric SMILES>
C1=CC=C(C=C1)CN2C=C(N=C2)CCN

>  <InChI Std. ID>
InChI=1S/C12H15N3/c13-7-6-12-9-15(10-14-12)8-11-4-2-1-3-5-11/h1-5,9-10H,6-8,13H2

>  <InChI Key>
HJAAETDYBWUJCC-UHFFFAOYSA-N

