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-Amino-1-phenylethanol

Graphical representations:

2-Amino-1-phenylethanol image

Molecular Formula: C8 H11 N O

Natural Isotopic Abundance Mass: 137.17904

Mono-Isotopic Molecular Masses:

  • C12N14: 137.0840639804
  • C13N14: 145.1109026828
  • C12N15: 138.0810988736
  • C13N15: 146.107937576

InCHi String: InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-amino-1-phenylethanol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
2-amino-1-phenyl-ethanol

PubChem Substance (SID):   85165109   8150919   8143427
PubChem Compound (CID):   1000
KEGG: Compound ID   C02735
CAS Registry IDs:   1936-63-6   1477-64-1   7568-93-6   73-59-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   EINECS 231-469-1   DTP/NCI 5021   ChemIDplus 007568936   NIST Chemistry WebBook 2696223802   Beilstein Handbook Reference 4-13-00-01801   ChEBI CHEBI:16343   NIST 478180465   DiscoveryGate 1000   ChemDB 4253320

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.