Marvin  06110722242D          

  9  9  0  0  0  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  8  3  1  0  0  0  0
  4  1  1  0  0  0  0
  3  4  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <ID>
CHEBI:41033

> <NAME>
benzamidine

> <DEFINITION>
A carboxamidine that is benzene carrying an amidino group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41025; CHEBI:40917; CHEBI:3022

> <SYNONYM>
phenylamidine; BENZAMIDINE; Benzamidine

> <IUPAC_NAME>
benzenecarboximidamide

> <FORMULA>
C7H9N2

> <MASS>
120.15190

> <MONOISOTOPIC_MASS>
120.06875

> <CHARGE>
0

> <SMILES>
NC(=N)c1ccccc1

> <INCHI>
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)

> <INCHIKEY>
PXXJHWLDUBFPOL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
606020

> <CAS_REGISTRY_NUMBER>
618-39-3

> <GMELIN_REGISTRY_NUMBER>
326011

> <REAXYS_REGISTRY_NUMBER>
606020

> <CHEMIDPLUS>
618-39-3

> <DRUGBANK_ACCESSION>
DB03127

> <KEGG_COMPOUND_ACCESSION>
C01784

> <PDBECHEM_ACCESSION>
BEN

> <WIKIPEDIA_ACCESSION>
Benzamidine

> <PUBMED_CITATION>
7702868

$$$$