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

Alpha-((Methylamino)methyl)benzyl Alcohol bmse000396 - Data

Alpha-((Methylamino)methyl)benzyl synonyms

alpha-[(Methylamino)methyl]benzyl alcohol; (+-)-alpha-((Methylamino)methyl)benzenemethanol; Halostachine; Benzyl alcohol, alpha-((methylamino)methyl)-, dl-; N-Methylphenylethanolamine; (+-)-Halostachine; N-METHYLPHENYLETHANOLAMINE; dl-1-Phenyl-1-oxy-2-(methylamino)-aethan [German]; Benzenemethanol, alpha-((methylamino)methyl)-, (+-)-; alpha-(Methylaminomethyl)benzyl alcohol; 2-(methylamino)-1-phenylethanol

Wikipedia:

Graphical representations:

alpha-((Methylamino)methyl)benzyl

View large 3D structure

Molecular Formula: C9H13NO

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/t9-/m0/s1

PubChem Compound (CID): 913
CAS Registry number: 68579-60-2
Sigma-Aldrich: 209848_ALDRICH
ChEBI: CHEBI:16913
ChemIDplus: 068579602
ChemSpider: 889
KEGG Compound ID: C03711
Beilstein Handbook Reference: 4-13-00-01802
ChemDB: 6633220

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)