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β-Alanine ethyl ester

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β-Alanine ethyl ester
Skeletal formula of β-alanine ethyl ester
Ball-and-stick model of the β-alanine ethyl ester molecule
Names
IUPAC name Ethyl β-alaninate
Systematic IUPAC name Ethyl 3-aminopropanoate
Other names Ethyl 3-aminopropionate
Ethyl β-alanate
Ethyl β-aminopropionate
Ethyl β-aminopropoanoate
3-Aminopropionic acid ethyl ester
3-Aminopropanoic acid ethyl ester
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3Key: GSQBIOQCECCMOQ-UHFFFAOYSA-N
  • InChI=1/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3Key: GSQBIOQCECCMOQ-UHFFFAOYAS
SMILES
  • O=C(OCC)CCN
Properties
Chemical formula C5H11NO2
Molar mass 117.148 g·mol
Melting point 65–67 °C (149–153 °F; 338–340 K) hydrochloride
Boiling point 58 °C (136 °F; 331 K) 14 Torr (free base)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound

β-Alanine ethyl ester is the ethyl ester of the non-essential amino acid β-alanine. It would be expected to hydrolyse within the body to form β-alanine.

References

  1. Kodaira, Toshiyuki; Miyake, Hideo; Hayashi, Koichiro; Okamura, Seizo (1965). "The Synthesis and Polymerization of β-Propiolactam and α-Phenyl-β-propiolactam". Bulletin of the Chemical Society of Japan. 38 (10): 1788–1789. doi:10.1246/bcsj.38.1788.
  2. Wright, Margaret Robson (1969). "Arrhenius parameters for the acid hydrolysis of esters in aqueous solution. Part I. Glycine ethyl ester, β-alanine ethyl ester, acetylcholine, and methylbetaine methyl ester". Journal of the Chemical Society B: Physical Organic: 707–710. doi:10.1039/J29690000707.


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