Marvin  03300615252D          

 13 14  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  3  2  1  0  0  0  0
  5  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
  4  3  2  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
  4  5  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
> <ID>
CHEBI:1784

> <NAME>
biphenyl-4-amine

> <DEFINITION>
An aminobiphenyl that is biphenyl substituted by an amino group at position 4.

> <STAR>
3

> <SYNONYM>
paraaminodiphenyl; p-xenylamine; p-phenylaniline; p-biphenylamine; p-aminodiphenyl; biphenyl-4-ylamine; 4-biphenylamine; 4-aminodiphenyl; 4-Aminobiphenyl; 4-amino-1,1'-biphenyl

> <IUPAC_NAME>
[1,1'-biphenyl]-4-amine

> <FORMULA>
C12H11N

> <MASS>
169.22248

> <MONOISOTOPIC_MASS>
169.08915

> <CHARGE>
0

> <SMILES>
Nc1ccc(cc1)-c1ccccc1

> <INCHI>
InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2

> <INCHIKEY>
DMVOXQPQNTYEKQ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
386533

> <CAS_REGISTRY_NUMBER>
92-67-1

> <GMELIN_REGISTRY_NUMBER>
365629

> <REAXYS_REGISTRY_NUMBER>
386533

> <CHEMIDPLUS>
92-67-1

> <KEGG_COMPOUND_ACCESSION>
C10998

> <NIST_CHEMISTRY_WEBBOOK>
92-67-1

> <WIKIPEDIA_ACCESSION>
4-Aminobiphenyl

> <PUBMED_CITATION>
12778203; 15880493; 20433335; 841184; 8847111

$$$$