
 1-Methylhistamine dihydrochloride

 24 22  0  0  0  0  0  0  0  0999 V2000
    1.2218   -0.4316   -0.0485 C   0  0  0  0  0
    2.6471   -0.1539   -0.1681 N   0  0  0  0  0
    3.2781    0.9874    0.1481 C   0  0  0  0  0
    4.6176    0.8155   -0.1255 C   0  0  0  0  0
    4.8194   -0.4296   -0.6062 N   0  0  0  0  0
    3.5944   -0.9979   -0.6211 C   0  0  0  0  0
    5.7047    1.8276    0.0728 C   0  0  0  0  0
    5.4592    3.0745   -0.7814 C   0  0  0  0  0
    6.5374    4.0385   -0.5897 N   0  0  0  0  0
    0.8286    3.1157   -1.6260 Cl  0  0  0  0  0
   -1.4645    0.5728    2.5833 Cl  0  0  0  0  0
    0.6856    0.4545    0.3518 H   0  0  0  0  0
    1.0638   -1.2886    0.6395 H   0  0  0  0  0
    0.8048   -0.6807   -1.0468 H   0  0  0  0  0
    2.8010    1.8739    0.5459 H   0  0  0  0  0
    3.4009   -2.0086   -0.9569 H   0  0  0  0  0
    6.6807    1.3785   -0.2133 H   0  0  0  0  0
    5.7443    2.1064    1.1478 H   0  0  0  0  0
    4.4880    3.5443   -0.5069 H   0  0  0  0  0
    5.4216    2.7822   -1.8540 H   0  0  0  0  0
    6.5327    4.3674    0.4034 H   0  0  0  0  0
    6.3557    4.8667   -1.2017 H   0  0  0  0  0
    0.5429    3.1361   -0.2804 H   0  0  0  0  0
   -1.8056    0.2772    1.2837 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6 16  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
M  END

>  <Chemical Name>
1-Methylhistamine dihydrochloride

>  <PubChem CID>
11957601

>  <Formula>
C6H13Cl2N3

>  <Molecular Weight>
198.091000

>  <IUPAC Name>
2-(1-methylimidazol-4-yl)ethanamine;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C=C(N=C1)CCN.Cl.Cl

>  <Isomeric SMILES>
CN1C=C(N=C1)CCN.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C6H11N3.2ClH/c1-9-4-6(2-3-7)8-5-9;;/h4-5H,2-3,7H2,1H3;2*1H

>  <InChI Key>
AGXVEALMQHTMSW-UHFFFAOYSA-N

