BMRB

Biological Magnetic Resonance Data Bank


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

2-Aminophenol

Graphical representations:

2-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/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2

canonical and isomeric SMILES: C1=CC=C(C(=C1)N)O

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

PubChem Substance (SID):   85165112   825373   587773
PubChem Compound (CID):   5801
KEGG: Compound ID   C01987
CAS Registry IDs:   51-19-4   95-55-6
PDB Chemical Component   2AF
Miscellaneous Databases and IDs:   Thomson Pharma 00058186   CCRIS 4144   Ambinter STK286021   DiscoveryGate 5801   CambridgeSoft Corporation 442   DTP/NCI 1534   DrugBank EXPT00102   ZINC ZINC00157526   HSDB 4246   NMRShiftDB 10008619   NIST Chemistry WebBook 311336648   UM-BBD c0316   MMDB 20629.2   NIAID 019900   ChemDB 4260833   SMID 2AF   ChemIDplus 000095556   ChEBI CHEBI:18112   NIST 311336648   EPA DSSTox 4498   EINECS 202-431-1   NCGC NCGC00091188-01   Sigma-Aldrich A71301_ALDRICH

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.