Marvin  08250914372D          

 12 13  0  0  0  0            999 V2000
   -2.3571    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0716    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0716   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571   -0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427    0.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282   -0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2137   -0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2137    0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3571    1.9152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282   -1.3848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
> <ID>
CHEBI:53003

> <NAME>
naphthalene-1,5-diamine

> <DEFINITION>
A naphthalenediamine compound having amino substituents in the 1- and 5-positions.

> <STAR>
3

> <SYNONYM>
1,5-Naphthylenediamine; 1,5-Naphthalenediamine; 1,5-naphthalenediamine; 1,5-Diaminonaphthalene; 1,5-diaminonaphthalene

> <IUPAC_NAME>
naphthalene-1,5-diamine

> <FORMULA>
C10H10N2

> <MASS>
158.19980

> <MONOISOTOPIC_MASS>
158.08440

> <CHARGE>
0

> <SMILES>
Nc1cccc2c(N)cccc12

> <INCHI>
InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2

> <INCHIKEY>
KQSABULTKYLFEV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
907947

> <CAS_REGISTRY_NUMBER>
2243-62-1

> <CHEMIDPLUS>
2243-62-1

> <KEGG_COMPOUND_ACCESSION>
C19463

> <NIST_CHEMISTRY_WEBBOOK>
2243-62-1

$$$$