BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

4-Aminophenol

Graphical representations:

4-Aminophenol image

Molecular Formula: C6 H7 N O

Natural Isotopic Abundance Mass: 109.12588

Mono-Isotopic Molecular Masses:

  • C12N14: 109.052763852
  • C13N14: 115.0728928788
  • C12N15: 110.0497987452
  • C13N15: 116.069927772

InCHi String: InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

canonical and isomeric SMILES: C1=CC(=CC=C1N)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-aminophenol

PubChem Substance (SID):   85165249   11076573   46303136
PubChem Compound (CID):   403
KEGG: Compound ID   C02372
CAS Registry IDs:   63084-98-0   52985-09-8   51-78-5   123-30-8
PDB Chemical Component   4NL
Miscellaneous Databases and IDs:   Sigma-Aldrich 35837_RIEDEL   ChEBI CHEBI:17602   HSDB 2640   BioCyc CPD-259   ChemIDplus 000123308   ChemSpider 11562800   MMDB 45710.3   EINECS 204-616-2   CCRIS 4146   NMRShiftDB 10008620   CambridgeSoft Corporation 443   EPA DSSTox 4499   ZINC ZINC04623758   ChemDB 4260835   NIST Chemistry WebBook 2544540830

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.