BMRB

Biological Magnetic Resonance Data Bank


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

alpha-((Methylamino)methyl)benzyl alcohol

Graphical representations:

alpha-((Methylamino)methyl)benzyl alcohol image

Molecular Formula: C9 H13 N O

Natural Isotopic Abundance Mass: 151.20562

Mono-Isotopic Molecular Masses:

  • C12N14: 151.0997140446
  • C13N14: 160.1299075848
  • C12N15: 152.0967489378
  • C13N15: 161.126942478

InCHi String: InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3

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

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

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

PubChem Substance (SID):   85165188   8144646   24439271
PubChem Compound (CID):   913
KEGG: Compound ID   C03711
CAS Registry IDs:   68579-60-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 209848_ALDRICH   ChEBI CHEBI:16913   ChemIDplus 068579602   ChemSpider 889   Beilstein Handbook Reference 4-13-00-01802   ChemDB 6633220

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.