Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Ethyl 4-aminobutyrate

Ethyl_4_aminobutyrate synonyms

Ethyl 4-aminobutyrate hydrochloride; ethyl 4-aminobutanoate


Graphical representations:


View large 3D structure

Molecular Formula: C6H13NO2

Natural Isotopic Abundance Mass: 131.17292

Mono-Isotopic Molecular Masses:

  • C12N14: 131.0946286667
  • C13N14: 137.1147576935
  • C12N15: 132.0916635599
  • C13N15: 138.1117925867

InChI string: InChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3

PubChem Compound (CID): 23365
CAS Registry number: 6937-16-2
CAS Registry number: 6937-16-2
Sigma-Aldrich: 390666_ALDRICH
805: 882-489-742
PDSP: nsc40245
Center for Chemical Genomics, University of Michigan: CCG-36562
ChemSpider: 21850

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,