
 Tramazoline

 33 35  0  0  0  0  0  0  0  0999 V2000
   -2.6340    1.4260   -0.0162 C   0  0  0  0  0
   -2.5775    0.2105    0.8958 C   0  0  0  0  0
   -1.4952   -0.7615    0.4283 C   0  0  0  0  0
   -0.1748   -0.0991    0.0926 C   0  0  0  0  0
   -0.1064    1.2937   -0.1288 C   0  0  0  0  0
   -1.3123    2.1853    0.0417 C   0  0  0  0  0
    1.1202    1.8854   -0.4631 C   0  0  0  0  0
    2.2632    1.1076   -0.6185 C   0  0  0  0  0
    2.1954   -0.2689   -0.4219 C   0  0  0  0  0
    0.9926   -0.8845   -0.0383 C   0  0  0  0  0
    0.9091   -2.2990    0.0742 N   0  0  0  0  0
    1.9339   -3.0677    0.5268 C   0  0  0  0  0
    2.3973   -4.1190   -0.0922 N   0  0  0  0  0
    3.4817   -4.6087    0.8102 C   0  0  0  0  0
    3.7203   -3.5006    1.8426 C   0  0  0  0  0
    2.4972   -2.7493    1.7239 N   0  0  0  0  0
   -3.4530    2.0886    0.2859 H   0  0  0  0  0
   -2.8396    1.1073   -1.0461 H   0  0  0  0  0
   -3.5476   -0.2985    0.9090 H   0  0  0  0  0
   -2.3699    0.5320    1.9241 H   0  0  0  0  0
   -1.8480   -1.2852   -0.4697 H   0  0  0  0  0
   -1.3522   -1.5105    1.2167 H   0  0  0  0  0
   -1.2255    2.6919    1.0117 H   0  0  0  0  0
   -1.3181    2.9594   -0.7356 H   0  0  0  0  0
    1.1854    2.9607   -0.6182 H   0  0  0  0  0
    3.2037    1.5711   -0.9058 H   0  0  0  0  0
    3.0895   -0.8657   -0.5860 H   0  0  0  0  0
    0.5702   -2.6746   -0.8080 H   0  0  0  0  0
    3.1486   -5.5336    1.2937 H   0  0  0  0  0
    4.3901   -4.8201    0.2383 H   0  0  0  0  0
    4.5765   -2.8792    1.5581 H   0  0  0  0  0
    3.8745   -3.8940    2.8510 H   0  0  0  0  0
    2.5077   -1.7675    1.9683 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
Tramazoline

>  <PubChem CID>
5524

>  <Formula>
C13H17N3

>  <Molecular Weight>
215.300000

>  <IUPAC Name>
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CCC2=C(C1)C=CC=C2NC3=NCCN3

>  <Isomeric SMILES>
C1CCC2=C(C1)C=CC=C2NC3=NCCN3

>  <InChI Std. ID>
InChI=1S/C13H17N3/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16)

>  <InChI Key>
QQJLHRRUATVHED-UHFFFAOYSA-N

