N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline

N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline bmse011509 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H20N2

Natural Isotopic Abundance Mass: 192.3005999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 192.16264865
  • C13N14: 204.20290670600005
  • C12N15: 194.156718436
  • C13N15: 206.19697649200006

InChI string: InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3

IUPAC: N,N-dimethyl-4-[(propan-2-ylamino)methyl]aniline

wwPDB CCD: GWV

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)