
 2-N-(4-aminophenyl)benzene-1,2-diamine

 28 29  0  0  0  0  0  0  0  0999 V2000
   -0.5544   -1.7472    0.8863 C   0  0  0  0  0
   -1.5889   -0.8434    1.1185 C   0  0  0  0  0
   -1.4018    0.5161    0.8594 C   0  0  0  0  0
   -0.1838    0.9814    0.3507 C   0  0  0  0  0
    0.8407    0.0513    0.0557 C   0  0  0  0  0
    0.6643   -1.2976    0.3772 C   0  0  0  0  0
    2.1097    0.5155   -0.3669 N   0  0  0  0  0
    0.0847    2.3591    0.1398 N   0  0  0  0  0
   -0.8087    3.4259   -0.0558 C   0  0  0  0  0
   -0.5008    4.6956    0.4438 C   0  0  0  0  0
   -1.3607    5.7800    0.2296 C   0  0  0  0  0
   -2.5602    5.6146   -0.4636 C   0  0  0  0  0
   -2.8316    4.3695   -1.0299 C   0  0  0  0  0
   -1.9764    3.2831   -0.8118 C   0  0  0  0  0
   -3.3477    6.7251   -0.7887 N   0  0  0  0  0
   -0.6909   -2.8006    1.1160 H   0  0  0  0  0
   -2.5335   -1.1908    1.5294 H   0  0  0  0  0
   -2.2002    1.2111    1.1027 H   0  0  0  0  0
    1.4719   -2.0077    0.2258 H   0  0  0  0  0
    2.6206   -0.1882   -0.8912 H   0  0  0  0  0
    1.9924    1.3701   -0.9114 H   0  0  0  0  0
    0.9283    2.6066    0.6519 H   0  0  0  0  0
    0.4171    4.8596    1.0012 H   0  0  0  0  0
   -1.0788    6.7585    0.6088 H   0  0  0  0  0
   -3.7083    4.2301   -1.6564 H   0  0  0  0  0
   -2.2116    2.3287   -1.2765 H   0  0  0  0  0
   -4.3105    6.4902   -1.0088 H   0  0  0  0  0
   -3.2826    7.4815   -0.1149 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  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 19  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
M  END

>  <Chemical Name>
2-N-(4-aminophenyl)benzene-1,2-diamine

>  <PubChem CID>
774866

>  <Formula>
C12H13N3

>  <Molecular Weight>
199.257000

>  <IUPAC Name>
2-N-(4-aminophenyl)benzene-1,2-diamine

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C(=C1)N)NC2=CC=C(C=C2)N

>  <Isomeric SMILES>
C1=CC=C(C(=C1)N)NC2=CC=C(C=C2)N

>  <InChI Std. ID>
InChI=1S/C12H13N3/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,13-14H2

>  <InChI Key>
DDLOISMWPUUWPL-UHFFFAOYSA-N

