Marvin  11200714172D          

  8  8  0  0  0  0            999 V2000
    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
    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
   -0.7145   -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   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  7  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  5  2  0  0  0  0
M  END
> <ID>
CHEBI:17602

> <NAME>
4-aminophenol

> <DEFINITION>
An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40037; CHEBI:20395; CHEBI:1856; CHEBI:12001

> <SYNONYM>
p-hydroxyaniline; p-Aminophenol; 4-Hydroxyaniline; 4-aminophenol; 4-AMINOPHENOL; 4-Aminophenol; 4-Aminobenzenol

> <IUPAC_NAME>
4-aminophenol

> <FORMULA>
C6H7NO

> <MASS>
109.12592

> <MONOISOTOPIC_MASS>
109.05276

> <CHARGE>
0

> <SMILES>
Nc1ccc(O)cc1

> <INCHI>
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

> <INCHIKEY>
PLIKAWJENQZMHA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
385836

> <CAS_REGISTRY_NUMBER>
123-30-8

> <GMELIN_REGISTRY_NUMBER>
2926

> <REAXYS_REGISTRY_NUMBER>
385836

> <CHEMIDPLUS>
123-30-8

> <KEGG_COMPOUND_ACCESSION>
C02372

> <METACYC_ACCESSION>
CPD-259

> <NIST_CHEMISTRY_WEBBOOK>
123-30-8

> <PDBECHEM_ACCESSION>
4NL

> <WIKIPEDIA_ACCESSION>
4-Aminophenol

> <PUBMED_CITATION>
11304127; 1395635; 22770225; 7179289

$$$$