BMRB

Biological Magnetic Resonance Data Bank


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

3-Methoxytyramine

Graphical representations:

3-Methoxytyramine image

Molecular Formula: C9 H13 N O2

Natural Isotopic Abundance Mass: 167.20502

Mono-Isotopic Molecular Masses:

  • C12N14: 167.0946286667
  • C13N14: 176.1248222069
  • C12N15: 168.0916635599
  • C13N15: 177.1218571001

InCHi String:

canonical and isomeric SMILES: COC1=C(C=CC(=C1)CCN)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-(2-aminoethyl)-2-methoxyphenol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
4-(2-aminoethyl)-2-methoxy-phenol

PUBCHEM iupac SYSTEMATIC NAME
4-(2-azanylethyl)-2-methoxy-phenol

PubChem Substance (SID):   144080930   7912   103760871
PubChem Compound (CID):   1669
KEGG: Compound ID   C05587
CAS Registry IDs:   554-52-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 1477-68-5   MDL number MFCD00012902   Beilstein Registry Number 3631283   EC Number 216-035-1   Sigma-Aldrich M4251_SIGMA   811 HMDB00022   ChemSpider 1606   ChEMBL CHEMBL1160785   NIST 1951564060

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.