Marvin  08130816412D          
                
 11 12  0  0  0  0            999 V2000
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  8  1  2  0  0  0  0
  5  8  1  0  0  0  0
 10  9  2  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:27878

> <NAME>
2-naphthylamine

> <DEFINITION>
A naphthylamine carrying the amino group at position 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1223; CHEBI:19723

> <SYNONYM>
BNA; beta-naphthylamine; beta-Naphthylamin; beta-naftilamina; 6-naphthylamine; 2-Naphthylamine; 2-Naphthylamin; 2-Naphthalenamine; 2-naftilamina; 2-Aminonaphthalene

> <IUPAC_NAME>
naphthalen-2-amine

> <FORMULA>
C10H9N

> <MASS>
143.18520

> <MONOISOTOPIC_MASS>
143.07350

> <CHARGE>
0

> <SMILES>
Nc1ccc2ccccc2c1

> <INCHI>
InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2

> <INCHIKEY>
JBIJLHTVPXGSAM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
606264

> <CAS_REGISTRY_NUMBER>
91-59-8

> <GMELIN_REGISTRY_NUMBER>
165176

> <REAXYS_REGISTRY_NUMBER>
606264

> <CHEMIDPLUS>
91-59-8

> <KEGG_COMPOUND_ACCESSION>
C02227

> <NIST_CHEMISTRY_WEBBOOK>
91-59-8

> <WIKIPEDIA_ACCESSION>
2-Naphthylamine

> <PUBMED_CITATION>
11233991; 12149138

$$$$