BMRB

Biological Magnetic Resonance Data Bank


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

N-[(3-methylthiophen-2-yl)methyl]propan-2-amine

N-[(3-methylthiophen-2-yl)methyl]propan-2-amine bmse012050 - Data

N-[(3-methylthiophen-2-yl)methyl]propan-2-amine synonyms

Wikipedia:

Graphical representations:

N-[(3-methylthiophen-2-yl)methyl]propan-2-amine

View large 3D structure

Molecular Formula: C9H15NS

Natural Isotopic Abundance Mass: 169.2871

Mono-Isotopic Molecular Masses:

  • C12N14: 169.092520485
  • C13N14: 178.12271402700003
  • C12N15: 170.089555378
  • C13N15: 179.11974892000003

InChI string: InChI=1S/C9H15NS/c1-7(2)10-6-9-8(3)4-5-11-9/h4-5,7,10H,6H2,1-3H3

IUPAC: b'N-[(3-methylthiophen-2-yl)methyl]propan-2-amine'

EU-OPENSCREEN: EOS102768

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)