Marvin  08150814252D          

 15 17  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
   -1.4289    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    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -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
    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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 14 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:40678

> <NAME>
anthracen-1-amine

> <STAR>
3

> <SYNONYM>
ANTHRACEN-1-YLAMINE; alpha-aminoanthracene; 1-anthrylamine; 1-anthramine; 1-anthracylamine; 1-anthracenamine; 1-aminoanthracene

> <IUPAC_NAME>
anthracen-1-amine

> <FORMULA>
C14H11N

> <MASS>
193.24388

> <MONOISOTOPIC_MASS>
193.08915

> <CHARGE>
0

> <SMILES>
Nc1cccc2cc3ccccc3cc12

> <INCHI>
InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2

> <INCHIKEY>
YUENFNPLGJCNRB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2209406

> <CAS_REGISTRY_NUMBER>
610-49-1

> <GMELIN_REGISTRY_NUMBER>
676719

> <CHEMIDPLUS>
610-49-1

> <NIST_CHEMISTRY_WEBBOOK>
610-49-1

> <PDBECHEM_ACCESSION>
ANC

$$$$