BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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1-(1H-indol-3-yl)-N,N-dimethylmethanamine

1-(1H-indol-3-yl)-N,N-dimethylmethanamine synonyms

Gramine

Wikipedia:

Graphical representations:

1-(1H-indol-3-yl)-N,N-dimethylmethanamine image

View large 3D structure

Molecular Formula: C11H14N2

Natural Isotopic Abundance Mass: 174.24226

Mono-Isotopic Molecular Masses:

  • C12N14: 174.115698458
  • C13N14: 185.152601676
  • C12N15: 176.109768244
  • C13N15: 187.146671462

InChI String: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   6890
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_04997

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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