bmse000310 2-Aminophenol at BMRB

2-Aminophenol

2-Hydroxyanaline; 2AF; Pelagol Grey GG; 1-Amino-2-hydroxybenzene; basf ursol 3ga; zoba 3ga; fouramine op; 2-Amino-1-hydroxybenzene; 2-amino-1-hydroxybenzene; 2-Aminophenol; Phenol, o-amino-, hydrochloride

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

2-Aminophenol

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.